Anti-infectives are drugs that can either kill an infectious agent or inhibit it from spreading. Anti-infectives include antibiotics and antibacterials, antifungals, antivirals and antiprotozoals.

Antibiotics specifically treat infections caused by bacteria, most commonly used types of antibiotics are: Aminoglycosides, Penicillins, Fluoroquinolones, Cephalosporins, Macrolides, and Tetracyclines. New other approaches such as photodynamic therapy (PDT) and antibacterial peptides have been considered as alternatives to kill bacteria.

The high rates of morbidity and mortality caused by fungal infections are associated with the current limited antifungal arsenal and the high toxicity of the compounds. The most common antifungal targets include fungal RNA synthesis and cell wall and membrane components, though new antifungal targets are being investigated.

Viral infections occur when viruses enter cells in the body and begin reproducing, often causing illness. Viruses are classified as DNA viruses or RNA viruses, RNA viruses include retroviruses, such as HIV, are prone to mutate. The currently available antiviral drugs target 4 main groups of viruses: herpes, hepatitis, HIV and influenza viruses. Drug resistance in the clinical utility of antiviral drugs has raised an urgent need for developing new antiviral drugs.

Antiprotozoal drugs are medicines that treat infections caused by protozoa. Of which, malaria remains a major world health problem following the emergence and spread of Plasmodium falciparum that is resistant to the majority of antimalarial drugs. At present, antimalarial discovery approaches have been studied, such as the discovery of antimalarials from natural sources, chemical modifications of existing antimalarials, the development of hybrid compounds, testing of commercially available drugs that have been approved for human use for other diseases and molecular modelling using virtual screening technology and docking.

References:
[1] Scorzoni L, et al. Front Microbiol. 2017 Jan 23;8:36.
[2] Dehghan Esmatabadi MJ, et al. Cell Mol Biol (Noisy-le-grand). 2017 Feb 28;63(2):40-48.
[3] Raymund R, et al. Mayo Clin Proc. 2011 Oct; 86(10):1009-1026.
[4] Aguiar AC, et al. Mem Inst Oswaldo Cruz. 2012 Nov;107(7):831-45.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
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Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
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JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
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Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
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Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
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TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Plitidepsin

Aplidine (Plitidepsin) is a potent anti-cancer agent by targeting eEF1A2 ( KD=80 nM)[1]. Aplidine possesses antiviral activity and is against SARS-CoV-2 with an IC90 of 0.88 nM. Aplidine is usually used for multiple myeloma and advanced cancer research, and has the potential for COVID-19 research[1][2].

  • CAS Number: 137219-37-5
  • MF: C57H87N7O15
  • MW: 1110.34000
  • Catalog: SARS-CoV
  • Density: 1.24g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Levofuraltadone

Levofuraltadone (NF-602) is an antibacterial and antiparasitic agent. Levofuraltadone has anti-trypanosomiasis activity and can be used in the study of human african trypanosomiasis as well as bacterial infections[1].

  • CAS Number: 3795-88-8
  • MF: C13H16N4O6
  • MW: 324.28900
  • Catalog: Bacterial
  • Density: 1.58 g/cm3
  • Boiling Point: 461.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 232.8ºC

Sulfameter

Sulfameter(Bayrena) is a long-acting sulfonamide antibacterial.Target: AntibacterialSulfameter(Bayrena) is a long-acting sulfonamide antibacterial. It is used as a leprostatic agent in the treatment of urinary tract infections.Six physically healthy patients each were given 2 g of sulfameter simultaneously with a high lipid, high protein and high carbohydrate test meal. This experiment was designed as a threefold crossover study, and there was a randomized assignment of patients to the different conditions. The results show that sulfameter is significantly better absorbed when administered with a high lipid meal than when given with a high protein or high carbohydrate meal, demonstrated by the areas under the serum concentration curves (AUC), by the peak serum concentration and by the cumulative renal excretion.

  • CAS Number: 651-06-9
  • MF: C11H12N4O3S
  • MW: 280.303
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 539.4±56.0 °C at 760 mmHg
  • Melting Point: 214-216°C
  • Flash Point: 280.0±31.8 °C

Antitubercular agent-24

Antitubercular agent-24 (Compound 1) is an anti-tubercular agent with an extracellular IC50 of 0.83 μM and an intracellular IC50 of 0.17 μM against M. tuberculosis H37Rv[1].

  • CAS Number: 1845719-43-8
  • MF: C18H19N3O2S2
  • MW: 373.49
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

HIV-1 inhibitor-37

HIV-1 inhibitor-37 (Compound 83) is a potent HIV-1. HIV-1 inhibitor-37 has the potential for further development as novel latency reversing agents[1].

  • CAS Number: 2416971-40-7
  • MF: C14H11Cl3N4O
  • MW: 357.62
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-Corydine

Corydine is a naturally occurring alkaloid which can be extracted from plants such as Croton echinocarpus leaves. Corydine is efficient on inhibiting reverse transcriptase (RT) activity with an IC50 of 356.8 μg/mL. Corydine displays significant in vitro anti-HIV potential, inhibiting 40% of the HIV-1 reverse transcriptase enzyme activity at a concentration of 450 μg/mL of Corydine[1].

  • CAS Number: 476-69-7
  • MF: C20H23NO4
  • MW: 341.401
  • Catalog: HIV
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 505.7±50.0 °C at 760 mmHg
  • Melting Point: 165-167ºC
  • Flash Point: 259.7±30.1 °C

Sodium copper chlorophyllin

Sodium copper chlorophyllin exerts antiviral activities against Influenza virus and HIV with IC50s of 50 to 100 μM for both of them.

  • CAS Number: 28302-36-5
  • MF: C34H29CuN4Na3O7
  • MW: 738.13
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: 790ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 431.6ºC

FadD32 Inhibitor-1

FadD32 Inhibitor-1 is a potent FadD32 inhibitor with anti-tubercular activity[1].

  • CAS Number: 2081969-24-4
  • MF: C24H20ClN3O
  • MW: 401.89
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Piromidic acid

Piromidic acid is a quinolone antibiotic.

  • CAS Number: 19562-30-2
  • MF: C14H16N4O3
  • MW: 288.30200
  • Catalog: Bacterial
  • Density: 1.4g/cm3
  • Boiling Point: 504ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 258.6ºC

doripenem

Doripenem is a new member of the carbapenem class of beta-lactam antibiotics with broad-spectrum coverage of Gram-positive, Gram-negative and anaerobic pathogens.Target: AntibacterialDoripenem is an ultra-broad-spectrum injectable antibiotic. It is a beta-lactam and belongs to the subgroup of carbapenems. It was launched by Shionogi Co. of Japan under the brand name Finibax in 2005 and is being marketed outside Japan by Johnson & Johnson. It is particularly active against Pseudomonas aeruginosa. It is recommended that those allergic to doripenem or to any type of beta-lactam antibiotics such as cephalosporin or other Carbapenems not receive doripenem.Doripenem appears as crystalline powder anywhere from a white to somewhat yellowish colour.Doripenem is moderately soluble in water, slightly soluble in methanol, and virtually insoluble in ethanol. Doripenem is also solution in N,N-dimethylformamide. Doripenem's chemical configuration has 6 asymmetrical carbon atoms (6 stereocentres) and is most commonly supplied as one pure isomer. In terms of doripenem for injection, the crystallized powered drug can form a monohydrate when mixed with water. However, Doripenem has not been proven to possess polymorphism.

  • CAS Number: 148016-81-3
  • MF: C15H24N4O6S2
  • MW: 420.504
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 694.8±65.0 °C at 760 mmHg
  • Melting Point: >186ºC dec.
  • Flash Point: 374.0±34.3 °C

Cefetamet Hydrochloride

Cefetamet is a potent antibiotic to treat respiratory and urinary tract infections.

  • CAS Number: 724438-16-8
  • MF: C14H16ClN5O5S2
  • MW: 433.89
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Mt KARI-IN-5

Mt KARI-IN-5 (compound 6c) is a potent Mycobacterium tuberculosis ketol-acid reductoisomerase (Mtb KARI) inhibitor with a Ki value of 4.72 μM. Mt KARI-IN-5 has inhibitory activity against Mtb H37Rv (MIC = 1.56 μM) and low cytotoxicity (HEK IC50 > 64 μg/mL)[1]

  • CAS Number: 2413974-69-1
  • MF: C14H10N4O5S3
  • MW: 410.45
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl acetoacetate-13C4

Ethyl acetoacetate-13C4 is the 13C labeled Ethyl acetoacetate[1]. Ethyl acetoacetate (Ethyl acetylacetate) is an ester widely used as an intermediate in the synthesis of many varieties of compounds[2][3][4]. Ethyl acetoacetate is an inhibitor of bacterial biofilm[5].

  • CAS Number: 84508-55-4
  • MF: C6H10O3
  • MW: 134.11200
  • Catalog: Bacterial
  • Density: 1.052 g/mL at 25ºC
  • Boiling Point: 181ºC(lit.)
  • Melting Point: -43ºC(lit.)
  • Flash Point: 184 °F

HIV-1 inhibitor-30

HIV-1 inhibitor-30 (compound 10i) is a potent HIV-1 inhibitor with an EC50 value of 40 nM and an IC50 value of 80 nM for HIV-1 RT DNA polymerase. HIV-1 inhibitor-30 has highly antiretroviral activity against seven non-nucleoside reverse transcriptase inhibitor (NNRTI)-resistant HIV-1 strains (RT-K103N; RT-Y181C; RT-K103N,Y181C; RT-L100I,K103N; RT-Y188L; RT-K103N,G190A; RT-K103N,V108I) with IC50s of 0.04~1.42 μM. HIV-1 inhibitor-30 can be used for researching AIDS[1].

  • CAS Number: 2132412-77-0
  • MF: C19H20ClN3O2
  • MW: 357.83
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lithium mupirocin

Mupirocin (BRL-4910A) lithium is an orally active antibiotic isolated from Pseudomonas fluorescens. Mupirocin lithium apparently exerts its antimicrobial activity by reversibly inhibiting isoleucyl-transfer RNA, thereby inhibiting bacterial protein and RNA synthesis[1][2][3][4][5].

  • CAS Number: 73346-79-9
  • MF: C26H43LiO9
  • MW: 506.56
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Apramycin sulfate

Apramycin sulfate is an aminoglycoside antibiotic mproduced by a strain of Streptomyces tenebrarius, used in veterinary practice.

  • CAS Number: 65710-07-8
  • MF: C21H43N5O15S
  • MW: 637.656
  • Catalog: Bacterial
  • Density: 1.56
  • Boiling Point: 949.8ºC at 760 mmHg
  • Melting Point: >168ºC (dec.)
  • Flash Point: 528.2ºC

Pendulone

Pendulone is a isoflavanquinone with good antiplasmodial activity with an IC50 of 7.0 µM. Pendulone also has antileishmanial, antibacterial and anticancer activity[1][2].

  • CAS Number: 69359-09-7
  • MF: C17H16O6
  • MW: 316.30534
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 546.8±50.0 °C(Predicted)
  • Melting Point: 221-223 °C
  • Flash Point: N/A

AAI101

AAI101 is an extended-spectrum β-lactamase inhibitor, against many resistant Gram-negative pathogens.

  • CAS Number: 1001404-83-6
  • MF: C11H14N4O5S
  • MW: 314.32
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Manoalide

Manoalide is a potent Phospholipase A2 (PLA2) and Phospholipase C (PLC) inhibitor. Manoalide, a sesterpenoid compound, displays anti-inflammatory and antibacterial activities[1][2][3].

  • CAS Number: 75088-80-1
  • MF: C25H36O5
  • MW: 416.550
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 609.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 203.3±25.0 °C

Chloroquine D5

Chloroquine D5 is deuterium labeled Chloroquine. Chloroquine is an antimalarial and anti-inflammatory agent widely used to treat malaria and rheumatoid arthritis. Chloroquine is an autophagy and toll-like receptors (TLRs) inhibitor. Chloroquine is highly effective in the control of SARS-CoV-2 (COVID-19) infection in vitro (EC50=1.13 μM)[1][2][3][4].

  • CAS Number: 1854126-41-2
  • MF: C18H21D5ClN3
  • MW: 324.90
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DprE1-IN-8

DprE1-IN-8 is a potent DprE1 inhibitor with an IC50 value of <0.75 μM. DprE1-IN-8 is against Mtb H37Rv with an IC50 of 6 nM and can be used for tuberculosis research[1].

  • CAS Number: 2679830-77-2
  • MF: C19H12F3N5O4S
  • MW: 463.39
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

XT-4

XT-4 is an antimicrobial peptide derived from skin secretions of Xenopus tropicalis. XT-4 has strong activity against E.coli, the vaule of MIC is 18 μM[1].

  • CAS Number: 398143-81-2
  • MF: C107H176N28O27S
  • MW: 2318.78
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DHDPS-IN-1

DHDPS-IN-1 (compound 8) is a DHDPS inhibitor (IC50: 39 μM). DHDPS-IN-1 can be used in the area of antibacterial and herbicidal[1].

  • CAS Number: 1233344-34-7
  • MF: C13H11NO5S
  • MW: 293.30
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Penicillin G benzathine

Penicillin G benzathine (Benzathine benzylpenicillin) is an antibiotic against many bacterial infections[1].

  • CAS Number: 1538-09-6
  • MF: C48H56N6O8S2
  • MW: 909.124
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 663.3ºCat 760 mmHg
  • Melting Point: 123-124ºC
  • Flash Point: 355ºC

IT1t dihydrochloride

IT1t dihydrochloride is a potent CXCR4 antagonist; inhibits CXCL12/CXCR4 interaction with an IC50 of 2.1 nM.

  • CAS Number: 1092776-63-0
  • MF: C21H36Cl2N4S2
  • MW: 479.573
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SBP1 peptide

SBP1 peptide is a chemically synthesized 23-mer peptide fragment of the ACE2 PD α1 helix. SBP1 peptide associates with micromolar affinity to insect-derived SARS-CoV-2-RBD protein [1].

  • CAS Number: 2416761-69-6
  • MF: C127H184N30O42
  • MW: 2803.00
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NSC260594

NSC260594 (NSC 260594) is a specific inhibitor of HIV-1 RNA packaging, which involves preventing the interaction of Gag with SL3 by stabilizing this small RNA stem-loop which then leads to stabilization of the global packaging signal region (psi or ψ); specifically blocks HIV-1 RNA encapsidation, binds to HIV-1 gRNA and exhibits potent antiviral activity; NSC260594 also is a small molecule inhibitor of the Escherichia coli condensin MukBEF, affects MukB directly.

  • CAS Number: 906718-66-9
  • MF: C29H24N6O3
  • MW: 504.55
  • Catalog: HIV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(±)-Mellein

Mellein is an antibiotic isolated from culture fluids of this Aspergillus[1].

  • CAS Number: 480-33-1
  • MF: C10H10O3
  • MW: 178.185
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 392.7±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 181.3±20.7 °C

C-215

C-215 is a novel inhibitor of mycobacterial membrane protein large 3 (MmpL3) with MIC90 of 16 uM against M. tuberculosis.

  • CAS Number: 912780-51-9
  • MF: C17H17Cl2N3
  • MW: 334.243
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 499.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 255.6±31.5 °C

GNF179 (Metabolite)

GNF179 metabolite is the metabolite of GNF179, which is an optimized 8,8-dimethyl IP analog that exhibited the potency(4.8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability.IC50 value: Target: Anti-parasitic agentGNF179 exhibits a low clearance (CL=22 ml/min/kg, ~25% of hepatic blood flow in mice), a large volume of distribution (steady-state volume of distribution, Vss=11.8 l/kg), a moderate residence time (MRT=9 hours) and suitable terminal half-life (t1/2=8.9 hours). GNF179 reduced Plasmodium berghei parasitemia levels by 99.7% with a single 100 mg/kg oral dose, and prolonged mouse survival by an average of 19 days. GNF179 was able to protect against an infectious P. berghei sporozoite challenge with a single oral dose at 15 mg/kg while NITD609 was not.

  • CAS Number: 1310455-86-7
  • MF: C14H16FN3
  • MW: 245.29500
  • Catalog: Parasite
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A