Chemsrc provides Research Areas's classification. They are divided into Others, Cancer, Cardiovascular Disease, Endocrinology, Infection, Inflammation/Immunology, Metabolic Disease, Neurological Disease according to their Biological activity.


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 >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
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 >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
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)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
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
Stem Cell/Wnt >
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
TGF-beta/Smad >
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

Tris(2,4-di-tert-butylphenyl)phosphate

Tris(2,4-di-tert-butylphenyl)phosphate is an active compound from the leaves of Vitex negundo L. shows anti-inflammatory activity with evidence of inhibition for secretory Phospholipase A2 (sPLA2) through molecular docking[1].

  • CAS Number: 95906-11-9
  • MF: C42H63O4P
  • MW: 662.92100
  • Catalog: Phospholipase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 99-101 °C(lit.)
  • Flash Point: N/A

Boc-D-Phe(3,4-Cl2)-OH

(R)-2-((tert-Butoxycarbonyl)amino)-3-(3,4-dichlorophenyl)propanoic acid is a phenylalanine derivative[1].

  • CAS Number: 114873-13-1
  • MF: C14H17Cl2NO4
  • MW: 334.195
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 478.1±45.0 °C at 760 mmHg
  • Melting Point: 120ºC
  • Flash Point: 242.9±28.7 °C

Lettowienolide

Lettowienolide, a geranylbenzoquinonoid, exhibits mild in vitro activity against the Plasmodium falciparum malaria parasite (IC50~20 μg/mL)[1].

  • CAS Number: 1189105-39-2
  • MF: C18H22O3
  • MW: 286.366
  • Catalog: Infection
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 453.2±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 186.4±21.5 °C

Xanthine-13C,15N2

Xanthine-13C,15N2 is a 15N-labeled and 13C-labled Deruxtecan. Deruxtecan is an ADC drug-linker conjugate composed of a derivative of DX-8951 (DXd) and amaleimide-GGFG peptide linker, used for synthesizing DS-8201 and U3-1402.

  • CAS Number: 1262670-81-4
  • MF: C413CH4N215N2O2
  • MW: 155.09
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RAD51-IN-4

RAD51-IN-4 is a potent inhibitor of RAD51. RAD51 is a eukaryote gene. RAD51-IN-4 has the potential for the research of conditions involving mitochondrial defects (extracted from patent WO2019014315A1, compound R12)[1].

  • CAS Number: 2267336-26-3
  • MF: C31H34FN5O5S2
  • MW: 639.76
  • Catalog: RAD51
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dasatinib N-Oxide

Dasatinib N-oxide is a minor metabolite of Dasatinib. Dasatinib is a potent and orally active dual Src/Bcr-Abl inhibitor[1][2].

  • CAS Number: 910297-52-8
  • MF: C22H26ClN7O3S
  • MW: 504.00500
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Resolvin D2

Resolvin D2 is a metabolite of docosahexaenoic acid (DHA), with anti-inflammatory, anti-infective activities. Resolvin D2 is a potent regulator of leukocytes and controls microbial sepsis. Resolvin D2 is a remarkably potent inhibitor of TRPV1 (IC50 = 0.1 nM) and TRPA1 (IC50 = 2 nM) in primary sensory neurons[1][2][3].

  • CAS Number: 810668-37-2
  • MF: C22H32O5
  • MW: 376.487
  • Catalog: TRP Channel
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 609.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 336.3±28.0 °C

AX-024

AX-024 is an cytokine release inhibitor which can strongly inhibit the production of interleukin-6 (IL-6), tumor necrosis factor-α (TNFα), interferon-γ (IFN-γ), IL-10 and IL-17A.

  • CAS Number: 1370544-73-2
  • MF: C21H22FNO2
  • MW: 339.40
  • Catalog: TNF Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Valine-angiotensin I

5-Valine-angiotensin I is an Ang I peptide belonging to angiotensin I. 5-Valine-angiotensin I induces muscle contraction, can be used for renin-angiotensin system studies. Angiotensin I is a putative neurotransmitter, is the precursor of angiotensin II and of angiotensin fragment 1-7, which are involved in regulation of fluid volume and the release of aldosterone[1][2].

  • CAS Number: 484-43-5
  • MF: C61H87N17O14
  • MW: 1282.45000
  • Catalog: Cardiovascular Disease
  • Density: 1.44g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CVN417

CVN417 is an orally active α6 subunit-containing nAChR antagonist, modulating phasic dopaminergic neurotransmission in an impulse-dependent manner. CVN417 inhibits Ca(2+) effluents mediated by nAChR subunits with IC50s of 0.086 μM (α6), 2.56 μM (α3) and 0.657 μM (α4), respectively. CVN417 attenuates resting tremor in Rodent models, displays the potential to improve movement dysfunction, in conditions such as Parkinson's disease[1].

  • CAS Number: 2919851-73-1
  • MF: C18H23ClN4O2
  • MW: 362.85
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pifithrin-β (hydrobromide)

Pifithrin-β is a potent p53 inhibitor with an IC50 of 23 μM.

  • CAS Number: 511296-88-1
  • MF: C16H17BrN2S
  • MW: 349.289
  • Catalog: MDM-2/p53
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pirimiphos-methyl

Pirimiphos-methyl is a rapid-acting organophosphorus insecticide and acaricide, causing inhibition of AChE in target organisms. Pirimiphos-methyl is often used for prevention and control of beetles, snout beetles, moths and Ephestia cautella during storage of agricultural grains[1][2][3].

  • CAS Number: 29232-93-7
  • MF: C11H20N3O3PS
  • MW: 305.334
  • Catalog: AChE
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 386.5±52.0 °C at 760 mmHg
  • Melting Point: 15°C
  • Flash Point: 187.6±30.7 °C

Farampator-d10

Farampator-d10 (CX-691-d10) is the deuterium labeled Farampator. Farampator (CX-691) is an AMPA receptor positive modulator.

  • CAS Number: 211735-93-2
  • MF: C12H3D10N3O2
  • MW: 241.31
  • Catalog: iGluR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Labda-8(20),14-dien-13-ol, (13S)-

13-Epimanool is the compound isolated from the bark of the Taiwan hemlock[1].

  • CAS Number: 1438-62-6
  • MF: C20H34O
  • MW: 290.48
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 368.2±11.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 118.2±15.6 °C

Valacyclovir

Valacyclovir is an antiviral drug used in the management of herpes simplex, herpes zoster, and herpes B. IC50 Value: 2.9 microg/ml (for HSV-1 W)[4]. Target: HSV infectionin vitro: VACV uptake was concentration dependent and saturable with a Michaelis-Menten constant and maximum velocity of 1.64 +/- 0.06 mM and 23.34 +/- 0.36 nmol/mg protein/5 min, respectively. A very similar Km value was obtained in hPEPT1/CHO cells and in rat and rabbit tissues and Caco-2 cells, suggesting that hPEPT1 dominates the intestinal transport properties of VACV in vitro [5]. in vivo: For treatment of a first episode of genital herpes, a large comparative trial has shown that valacyclovir (1 g twice a day) is as effective as acyclovir (200 mg five times a day) when given for 10 days. For treating recurrences, two trials show that valacyclovir is as effective as acyclovir (200 mg five times a day) with a treatment period of 5 days. A daily dose of 1 g of valacyclovir is as effective as 2 g daily. Valacyclovir can be administered once a day[1]. The concentrations of acyclovir in serum and CSF were measured at steady state after 6 days of oral treatment with 1,000 mg of valacyclovir three times a day [2]. EC50 values of PE and AC in 3T3 cells were 0.02 and 0.01 ug/ml, while values in BHK cells were 0.2 and 0.03 ug/ml. Treatment of infected immunosuppressed mice and FA and VA (b.i.d., 5.5 days) reduced the proportion with erythema from 100% to 24% and 38%, and eliminated ear paralysis, ear lesions (vesicles, etc) and death. Virus was absent from ear and brainstem by day 6, but reappeared after discontinuation in mice treated with VA [3].Clinical trial: Evaluation of Valaciclovir in Patients with Chickenpox. Phage3

  • CAS Number: 124832-26-4
  • MF: C13H20N6O4
  • MW: 324.336
  • Catalog: HSV
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: 309.7ºC

AH1 is an immunodominant antigen derived from the gp70 product of an endogenous MuLV. AH1 behaves as the CTL-immunodominant epitope of CT26 colon carcinoma[1][2].

  • CAS Number: 181272-91-3
  • MF: C54H70N12O15
  • MW: 1127.20000
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CH6953755

CH6953755 is a potent, orally active and selective YES1 kinase (a member of the SRC family) inhibitor with an IC50 of 1.8 nM. CH6953755 inhibits YES1 kinase, leading to antitumor activity against YES1 Gene -amplified cancers in vitro and in vivo[1].

  • CAS Number: 2055918-71-1
  • MF: C26H22F2N6O4S
  • MW: 552.55
  • Catalog: Src
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nicotinamide riboside tartrate

Nicotinamide riboside tartrate, an orally active NAD+ precursor, increases NAD+ levels and activates SIRT1 and SIRT3. Nicotinamide riboside tartrate is a source of vitamin B3 (niacin) and enhances oxidative metabolism, protection against high fat diet-induced metabolic abnormalities[1]. Nicotinamide riboside tartrate reduces cognitive deterioration in a transgenic mouse model of Alzheimer’s disease[2].

  • CAS Number: 2415657-86-0
  • MF: C15H20N2O11
  • MW: 404.33
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sinomenine

Sinomenine, an alkaloid extracted from Sinomenium acutum, is a blocker of the NF-κB activation[1]. Sinomenine also is an activator of μ-opioid receptor[2].

  • CAS Number: 115-53-7
  • MF: C19H23NO4
  • MW: 329.390
  • Catalog: Apoptosis
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 513.6±50.0 °C at 760 mmHg
  • Melting Point: 180ºC
  • Flash Point: 264.4±30.1 °C

SLEC-11

SLEC-11 acts as a potential synthetic lethal lead for the treatment of gastric cancer. AL-GDa62 shows EC50 of 12.2 μM and 8.2 μM for isogenic mammary epithelial cells MCF10A-WT (wild-type) and MCF10A-CDH1-/-[1].

  • CAS Number: 863761-17-5
  • MF: C18H17FN2O
  • MW: 296.34
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

C6 NBD L-threo-ceramide

C6 NBD L-threo-ceramide is a cell-permeable analog of ceramides that is tagged with a fluorescent group C6 nitrobenzoxadiazole (C6 NBD). It is rapidly transferred between liposomes, labels the Golgi apparatus, and is metabolized to C6 NBD sphingomyelin in BHK cells and V79 fibroblasts.

  • CAS Number: 114301-96-1
  • MF: C30H49N5O6
  • MW: 575.74
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tolazamide

Tolazamide is an oral blood glucose lowering drug used for people with Type 2 diabetes.

  • CAS Number: 1156-19-0
  • MF: C14H21N3O3S
  • MW: 311.40000
  • Catalog: Endocrinology
  • Density: 1.29g/cm3
  • Boiling Point: 289 °C772 mm Hg(lit.)
  • Melting Point: 171-173 °C(lit.)
  • Flash Point: 100 °C

Tariquidar (methanesulfonate, hydrate)

Tariquidar methanesulfonate, hydrate is a potent and specific inhibitor of P-glycoprotein (P-gp) with a Kd of 5.1 nM.

  • CAS Number: 625375-83-9
  • MF: C40H52N4O15S2
  • MW: 892.98900
  • Catalog: P-glycoprotein
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pinocembrin chalcone

Pinocembrin chalcone (2',4',6'-Trihydroxychalcone) is an antibacterial compound from Helichrysum Trilineatum. Pinocembrin chalcone can prevent gastric ulcers in rats[1].

  • CAS Number: 4197-97-1
  • MF: C15H12O4
  • MW: 256.25300
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 189.9℃
  • Flash Point: N/A

Steviol-​19-​O-​glucoside

Steviol-​19-​O-​glucoside is a metabolite of steviol in the steviol glycosides biosynthesis pathway in Stevia rebuadiana[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyl-Octreotide

Acetyl-octreotide is a reduced linear peptide. Acetyl-octreotide can synthesize Re(V)-cyclized peptides in aqueous methanol solutions with low Sst receptor binding affinities[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GFB-8438

GFB-8438 is a potent and subtype selective TRPC5 inhibitor, with IC50s of 0.18 and 0.29 μM of hTRPC5 and hTRPC4, respectively. GFB-8438 shows excellent selectivity against TRPC6, other TRP family members, NaV 1.5, as well as limited activity against the hERG channel. GFB-8438 protects mouse podocytes from injury induced by protamine sulfate model[1].

  • CAS Number: 2304549-73-1
  • MF: C16H14ClF3N4O2
  • MW: 386.76
  • Catalog: TRP Channel
  • Density: 1.52±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Furimazine

Furimazine is an imidazopyrazinone substrate. NanoLuc (Nluc) paired with Furimazine produced 2.5 million-fold brighter luminescence in mammalian cells relative to Oluc-19 with Coelenterazine.

  • CAS Number: 1374040-24-0
  • MF: C24H19N3O2
  • MW: 381.43
  • Catalog: Dye Reagents
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Me-Tet-PEG4-Maleimide

Me-Tet-PEG4-Maleimide is an ADC Linker containing 4 PEG units. Me-Tet-PEG4-Maleimide can utilize its own Tetrazine group to undergo a specific inverse electron demand Diels-Alder reaction (iEDDA) with compounds with TCO groups. Its maleimide group (-Maleimide) degrades in aqueous media and has been used in drug delivery studies.

  • CAS Number: 1715913-76-0
  • MF: C28H37N7O8
  • MW: 599.64
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DMT-2'Fluoro-DG(IB) Amidite

DMT-2'Fluoro-DG(IB) Amidite (2'-F-ibu-dG Phosphoramidite) is a nucleoside that can be used in the preparation of 4'-modified 2'-deoxy-2'-fluorouridine[1].

  • CAS Number: 144089-97-4
  • MF: C44H53FN7O8P
  • MW: 857.906
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A