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

Pacritinib

Pacritinib is a potent inhibitor of both wild-type JAK2 (IC50=23 nM) and JAK2V617F mutant (IC50=19 nM). Pacritinib also inhibits FLT3 (IC50=22 nM) and its mutant FLT3D835Y (IC50=6 nM).

  • CAS Number: 937272-79-2
  • MF: C28H32N4O3
  • MW: 472.579
  • Catalog: JAK
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 711.4±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 384.0±35.7 °C

Dehydrojuncusol

Dehydrojuncusol, a potent HCV inhibitor, targets HCV NS5A and is able to inhibit RNA replication of replicons harboring resistance mutations to anti-NS5A direct-acting antivirals. Dehydrojuncusol significantly inhibits HCV infection when added after virus inoculation of HCV genotype 2a (EC50=1.35 µM)[1].

  • CAS Number: 117824-04-1
  • MF: C18H16O2
  • MW: 264.31800
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MCH-1 antagonist 1

MCH-1 antagonist 1 is a potent melanin concentrating hormone (MCH-1) antagonist with a Ki of 2.6 nM. MCH-1 antagonist 1 also inhibits CYP3A4 with an IC50 of 10 μM.

  • CAS Number: 1039825-68-7
  • MF: C25H26N4O2
  • MW: 414.50000
  • Catalog: MCHR1 (GPR24)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SIRT1-IN-2

SIRT1-IN-2 (compound 3h) is a potent and selective SIRT1 (silent information regulator 1) inhibitor, with an IC50 of 1.6 μM[1].

  • CAS Number: 2470969-89-0
  • MF: C13H15ClN2O
  • MW: 250.72
  • Catalog: Sirtuin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Boc-dolaproine-methyl

N-Boc-dolaproine-methyl is the amino acid residue of the pentapeptide Dolastatin 10 (HY-15580). Dolastatin 10 inhibits tubulin polymerization and mitosis and has anticancer activity[1].

  • CAS Number: 164456-57-9
  • MF: C14H25NO5
  • MW: 287.35200
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Aspercolorin

Aspercolorin, a secondary metabolite, is a cyclic peptide[1].

  • CAS Number: 29123-52-2
  • MF: C25H28N4O5
  • MW: 464.514
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 864.0±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 476.3±34.3 °C

2-Amino-3,7-dihydro-5-iodo-7-β-D-ribofuranosyl-4H-pyrrolo[2,3-d]pyrimidin-4-one

2-Amino-3,7-dihydro-5-iodo-7-β-D-ribofuranosyl-4H-pyrrolo[2,3-d]pyrimidin-4-one is a purine nucleoside analogue. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 444020-71-7
  • MF: C11H13IN4O5
  • MW: 408.15
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.6±0.1 g/cm3
  • Boiling Point: 723.5±70.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 391.4±35.7 °C

2′-Deoxy-2′-fluoroguanosine

2′-Deoxy-2′-fluoroguanosine, a nucleoside analog, is a potent inhibitor of influenza virus strains, with an EC90 of <0.35 μM for influenza virus A and B strains. 2′-Deoxy-2′-fluoroguanosine significantly inhibits replication of influenza virus in the upper respiratory tract, resulting in amelioration of fever and nasal inflammation[1][2].

  • CAS Number: 78842-13-4
  • MF: C10H12FN5O4
  • MW: 285.232
  • Catalog: Influenza Virus
  • Density: 2.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

adipic acid d-10

Adipic acid-d10 is the deuterium labeled Adipic acid[1]. Adipic acid is found to be associated with HMG-CoA lyase deficiency, carnitine-acylcarnitine translocase deficiency, malonyl-Coa decarboxylase deficiency, and medium Chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism[2].

  • CAS Number: 25373-21-1
  • MF: C6D10O4
  • MW: 156.203
  • Catalog: Metabolic Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 338.5±15.0 °C at 760 mmHg
  • Melting Point: 151-154ºC(lit.)
  • Flash Point: 196.1±0.0 °C

Mipomersen

Mipomersen (ISIS 301012 free base) is an antisense oligonucleotide inhibitor of apolipoprotein B (apoB). Mipomersen has anti-HCV effect and reduces the infectivity of the HCV. Mipomersen can be used for the research of homozygous familial hypercholesterolemia (HoFH)[1][2].

  • CAS Number: 1000120-98-8
  • MF: C230H305N67O122P19S19
  • MW: 7177.00
  • Catalog: HCV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Synucleozid dihydrochloride

Synucleozid (NSC 377363) is a potent inhibitor of the SNCA mRNA that encodes α-synuclein protein (IC50=1.5 μM). Synucleozid selectively targets the α-synuclein mRNA 5′ UTR at the designed IRE site, decreases the amount of SNCA mRNA loaded into polysomes and thereby inhibits SNCA translation. Synucleozid has the potential for the investigation of Parkinson’s disease[1].

  • CAS Number: 502139-01-7
  • MF: C22H20N6
  • MW: 368.43
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pseudolaric acid C2-O-β-D-glucoside

Pseudolaric acid C2-O-β-D-glucoside is a natural product isolated from Pseudolarix kaempferi[1].

  • CAS Number: 1206462-80-7
  • MF: C28H36O13
  • MW: 580.58
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Berzosertib (VE-822)

Berzosertib (VE-822) is an ATR inhibitor with a Ki value of less than 0.2 nM. It also inhibits ATM with a Ki of 34 nM.

  • CAS Number: 1232416-25-9
  • MF: C24H25N5O3S
  • MW: 463.552
  • Catalog: ATM/ATR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 674.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 361.7±31.5 °C

EIPA

EIPA is a TRPP3 channel inhibitor with an IC50 of 10.5 μM. EIPA also inhibits Na+/H+-exchanger (NHE) and macropinocytosis.

  • CAS Number: 1154-25-2
  • MF: C11H18ClN7O
  • MW: 299.760
  • Catalog: Sodium Channel
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 543.9±60.0 °C at 760 mmHg
  • Melting Point: 202-205ºC(lit.)
  • Flash Point: 282.8±32.9 °C

MFN2 agonist B-A l

MFN2 agonist B-A l is a mall-molecule mimics of the peptide-peptide interface of MFN2, allosterically activates MFN2 and promotes mitochondrial fusion with EC50 of 3 nM; potently stimulates mitochondrial fusion in MFN2-deficient cells, competed for minipeptide binding at the MFN2 HR2 interaction site, correct mitochondrial damage induced by nonfunctioning MFN2 mutants by activating endogenous mitofusins by amelioration of mitochondrial dysmotility, fragmentation, depolarization, and clumping; normalizes axonal mitochondrial trafficking within sciatic nerves of MFN2 Thr105→Met105 mice.

  • CAS Number: 2230047-87-5
  • MF: C21H29N5OS
  • MW: 399.557
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lithospermic acid

Lithospermic acid ((+)-Lithospermic acid) is a plant-derived polycyclic phenolic carboxylic acid isolated from Salvia miltiorrhiza, and has the anti-oxidative and hepatoprotective activity on carbon tetrachloride (CCl4)-induced acute liver damage in vitro and in vivo[1].

  • CAS Number: 28831-65-4
  • MF: C27H22O12
  • MW: 538.456
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 862.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 291.3±27.8 °C

Gluconate-1-13C sodium

Gluconate-1-13C sodium is the 13C labeled Gluconate sodi[1][2].

  • CAS Number: 2687959-99-3
  • MF: C513CH11NaO7
  • MW: 219.13
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Adenosine receptor inhibitor 1

Adenosine receptor inhibitor 1 is a potent and selective adenosine receptor (AR) inhibitor with Ki values of >1000, 68.5, >1000, >1000 nM for A1AR, A2AAR, A2BAR, A3AR, respectively. Adenosine receptor inhibitor 1 shows antinociceptive activity, anti-inflammatory effect and peripheral analgesic effect. Adenosine receptor inhibitor 1 has the potential for the research of cancer or neurodegenerative diseases[1].

  • CAS Number: 2550400-52-5
  • MF: C17H19ClFN5O3
  • MW: 395.82
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ASR-488

ASR-488 activates the mRNA-binding protein CPEB1, induces apoptosis and inhibits bladder cancer growth[1].

  • CAS Number: 2690312-65-1
  • MF: C33H40O7S
  • MW: 580.73
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cinobufagin

Cinobufagin, a kind of Chinese materia medica with antitumor effect, is widely used in clinical practice, especially in anti-liver cancer.IC50 value:Target:In vitro: Cinobufagin inhibited proliferation of cancer cells at doses of 0.1, 1, or 10 μM after 2–4 days of culture. Cytotoxicity of cinobufagin on the DU145 and LNCaP cells was dose-dependent. Cinobufagin increased [Ca2+]i and apoptosis in cancer cells after a 24-hr culture as well as caspase 3 activities in DU145 and PC3 cells and caspase 9 activities in LNCaP cells [1]. Cinobufagin suppresses cell proliferation and causees apoptosis in prostate cancer cells via a sequence of apoptotic modulators, including Bax, cytochrome c and caspases [2].In vivo:

  • CAS Number: 470-37-1
  • MF: C26H34O6
  • MW: 442.545
  • Catalog: Autophagy
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 595.4±50.0 °C at 760 mmHg
  • Melting Point: 222-223ºC
  • Flash Point: 199.4±23.6 °C

conagenin

Conagenin is an immunomodulator. Conagenin shows antitumor effects by activation of T cells and increasing antitumor effector cells[1].

  • CAS Number: 134381-30-9
  • MF: C10H19NO6
  • MW: 249.26100
  • Catalog: Cancer
  • Density: 1.326g/cm3
  • Boiling Point: 594.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 313.1ºC

Fmoc-Dap(Alloc)-OH

Fmoc-Dap(Alloc)-OH is an alanine derivative[1].

  • CAS Number: 188970-92-5
  • MF: C22H22N2O6
  • MW: 410.420
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 658.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.1±31.5 °C

ALLM

ALLM (Calpain inhibitor II) is a potent inhibitor of calpain and cathepsin proteases. ALLM inhibits neuronal cell death and improves chronic neurological function after spinal cord injury (SCI)[1][2].

  • CAS Number: 110115-07-6
  • MF: C19H35N3O4S
  • MW: 401.564
  • Catalog: Cathepsin
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 676.5±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 362.9±31.5 °C

STAMBP-IN-1

STAMBP-IN-1 is a small-molecule inhibitor of STAMBP deubiquitinase, and interrupts STAMBP-Ub-NALP7 interaction. STAMBP-IN-1 decreases protein level of its inflammasome substrate NALP7 and suppresses IL-1b release after Toll-like receptor (TLR) agonism. STAMBP-IN-1 inhibits the activity of STAMBP to cleave recombinant di-Ub with an IC50 value of 0.33 mM[1].

  • CAS Number: 896683-78-6
  • MF: C27H28N4O4S
  • MW: 504.6
  • Catalog: Deubiquitinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(Gln22,Asn23)-Amyloid β-Protein (1-40) trifluoroacetate salt

(Gln22,Asn23)-Amyloid β-Protein (1-40) is a peptide. (Gln22,Asn23)-Amyloid β-Protein (1-40) can be used for the research of Cerebral Amyloid Angiopathy Mutations[1].

  • CAS Number: 374796-75-5
  • MF: C6H4N4O2S
  • MW: 196.187
  • Catalog: Cardiovascular Disease
  • Density: 2.3±0.1 g/cm3
  • Boiling Point: 360.8±34.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 172.0±25.7 °C

Anti-inflammatory agent 30

Anti-inflammatory agent 30 (Compound 5) is an anti-inflammatory agent with hepatoprotective activity[1].

  • CAS Number: 2573174-21-5
  • MF: C25H26O12
  • MW: 518.47
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MF 5137

MF 5137 is a potent antibacterial agent.

  • CAS Number: 148927-23-5
  • MF: C23H23N3O3
  • MW: 389.44700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Guanosine, 3'-O-methyl-

3'-O-Methylguanosine is a methylated nucleoside analogs and a RNA chain terminator. 3'-O-methylguanosine can inhibit early virus-specific RNA synthesis[1].

  • CAS Number: 10300-27-3
  • MF: C11H15N5O5
  • MW: 297.26700
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.98g/cm3
  • Boiling Point: 711.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 384.2ºC

4-Ethoxyphenol

4-Ethoxyphenol is an endogenous metabolite.

  • CAS Number: 622-62-8
  • MF: C8H10O2
  • MW: 138.164
  • Catalog: Metabolic Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 246.4±13.0 °C at 760 mmHg
  • Melting Point: 64-67 °C
  • Flash Point: 124.0±4.8 °C

6'-O-β-D-Apiofuranosylsweroside

6'-O-β-Apiofuranosylsweroside is a secoiridoid glycoside that can be isolated from the leaves of Lonicera angustifolia Wall[1].

  • CAS Number: 266678-59-5
  • MF: C21H30O13
  • MW: 490.455
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 800.2±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 276.6±27.8 °C