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

Lycopodine

Lycopodine, a pharmacologically important bioactive component derived from Lycopodium clavatumspores, triggers apoptosis by modulating 5-lipoxygenase, and depolarizing mitochondrial membrane potential in refractory prostate cancer cells without modulating p53 activity[1]. Lycopodine inhibits proliferation of HeLa cells through induction of apoptosis via caspase-3 activation[2].

  • CAS Number: 466-61-5
  • MF: C16H25NO
  • MW: 247.37600
  • Catalog: Caspase
  • Density: 1.106g/cm3
  • Boiling Point: 373.464ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 137.245ºC

RU-301

RU-301 is a pan-TAM receptor inhibitor, exerts pan-TAM inhibitory activity by binding at the interface between Gas6 and the Ig1 domain of the respective TAMs with Kd and IC50 values of 12 μM and 10 μM, respectively[1].

  • CAS Number: 1110873-99-8
  • MF: C21H19F3N4O4S
  • MW: 480.46
  • Catalog: TAM Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SV40 T-Ag-derived NLS peptide

SV40 T-Ag-derived NLS peptide is a nuclear localization signal DNA tagged to this peptide efficiently translocates into the cell nucleus[1].

  • CAS Number: 105425-98-7
  • MF: C66H111N19O18S
  • MW: 1490.77000
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Orientin

Orientin is a naturally occurring bioactive flavonoid that possesses diverse biological properties, including anti-inflammation, anti-oxidative, anti-tumor, and cardio protection. Orientin is a promising neuroprotective agent suitable for therapy for neuropathic pain[1][2].

  • CAS Number: 28608-75-5
  • MF: C21H20O11
  • MW: 448.377
  • Catalog: Cancer
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 816.1±65.0 °C at 760 mmHg
  • Melting Point: 260-285ºC
  • Flash Point: 289.1±27.8 °C

CMS121

CMS-121 is a quinolone derivative and an orally active acetyl-CoA carboxylase 1 (ACC1) inhibitor. CMS-121 protects HT22 cells against ischemia and oxidative damage with EC50 values of 7 nM and 200 nM, respectively. CMS-121 has strong neuroprotective, anti-inflammatory, antioxidative and renoprotective activities[1][2][3].

  • CAS Number: 1353224-53-9
  • MF: C20H19NO3
  • MW: 321.37
  • Catalog: Acetyl-CoA Carboxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyl acetyl-D-phenylalaninate

Methyl acetyl-D-phenylalaninate is a phenylalanine derivative[1].

  • CAS Number: 21156-62-7
  • MF: C12H15NO3
  • MW: 221.25200
  • Catalog: Others
  • Density: 1.117g/cm3
  • Boiling Point: 391ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 190.3ºC

2’,3’-Di-O-acetyl-8-benzyloxy-3’-deoxy-3’-fluoroguanosine

2’,3’-Di-O-acetyl-8-benzyloxy-3’-deoxy-3’-fluoroguanosine is a purine nucleoside analog. 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: 2389988-77-4
  • MF: C21H22FN5O7
  • MW: 475.43
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anticancer agent 32

Anticancer agent 32 (compound 2g) is an anticancer agent. Anticancer agent 32 shows anticancer activities, affects cell cycle and induces cell apoptosis. Anticancer agent 32 can be used for the research of cancer[1].

  • CAS Number: 2222930-76-7
  • MF: C24H21F2N5O
  • MW: 433.45
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-Bepotastine

Bepotastine is an orally active second-generation histamine H1 receptor antagonist. Bepotastine has the potential for allergic rhinitis and urticaria/pruritus treatment[1][2].

  • CAS Number: 125602-71-3
  • MF: C21H25ClN2O3
  • MW: 388.888
  • Catalog: Histamine Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 546.8±50.0 °C at 760 mmHg
  • Melting Point: 56-58 °C
  • Flash Point: 284.5±30.1 °C

ω-Agatoxin IVa trifluoroacetate salt

ω-Agatoxin IVA is a potent, selective P/Q type Ca2+ channel blocker with IC50s of 2 nM and 90 nM for P-type and Q-type Ca2+ channels, respectively. ω-Agatoxin IVA (IC50, 30-225 nM) inhibits glutamate exocytosis and calcium influx elicited by high potassium. ω-Agatoxin IVA also blocks the high potassium-induced release of serotonin and norepinephrine. ω-Agatoxin IVA has no effect on L-type or N-type calcium channels[1][2].

  • CAS Number: 145017-83-0
  • MF: C217H360N68O60S10
  • MW:
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-Bromooctane-d17

1-Bromooctane-d17 is the deuterium labeled 1-Bromooctane[1].

  • CAS Number: 126840-36-6
  • MF: C8BrD17
  • MW: 210.22900
  • Catalog: Others
  • Density: 1.217 g/mL at 25ºC
  • Boiling Point: 201ºC(lit.)
  • Melting Point: -55ºC(lit.)
  • Flash Point: 173 °F

ONO 1301

ONO 1301 (ONO-AP 500-02), a prostaglandin (PG) I2 mimetic, is an orally active, long-acting prostacyclin agonist with thromboxane-synthase inhibitory activity. ONO 1301 promotes production of hepatocyte growth factor (HGF) from various cell types and ameliorates ischemia-induced left ventricle dysfunction in the mouse, rat and pig[1][2][3].

  • CAS Number: 176391-41-6
  • MF: C26H24N2O4
  • MW: 428.48000
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 147-158 °C
  • Flash Point: N/A

20-Hydroxyganoderic acid G

20-Hydroxyganoderic Acid G is a lanostane triterpenoid obtained from the EtOH extract of fruiting bodies of the Ganoderma curtisii. 20-Hydroxyganoderic Acid G inhibits BV-2 microglia cells activated by LPS with an IC50 of 21.33 μM. 20-Hydroxyganoderic Acid G has therapeutic potential in the drug discovery of nerve inflammation diseases associated with microglia activated by LPS[1].

  • CAS Number: 400604-12-8
  • MF: C30H44O9
  • MW: 548.67
  • Catalog: Inflammation/Immunology
  • Density: 1.31±0.1 g/cm3(Predicted)
  • Boiling Point: 760.1±60.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

11β-HSD1-IN-11

11β-HSD1-IN-11 (Compound c1a) is a competitive 11β-HSD1 inhibitor with IC50s of 0.34 μM and 0.13 μM against rat and human 11β-HSD1, respectively[1].

  • CAS Number: 859721-81-6
  • MF: C15H11F3O3S
  • MW: 328.31
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

KRAS G12C inhibitor 36

KRAS G12C inhibitor 36 is a potent inhibitor of KRAS G12C. The Ras family of proteins is an important intracellular signaling molecule that plays an important role in growth and development. KRAS G12C inhibitor 36 has the potential for the research of KRAS G12C-mediated cancer (extracted from patent WO2021121367A1, compound 1-2)[1].

  • CAS Number: 2658588-10-2
  • MF: C31H26ClF4N7O2
  • MW: 640.03
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fumitremorgin B

Fumitremorgin B is a tremorgenic mycotoxin. Fumitremorgin B exhibits significant antifungal activities, with MICs of 6.25-50 μg/mL[1][2][3].

  • CAS Number: 12626-17-4
  • MF: C27H33N3O5
  • MW: 479.56800
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tremelimumab

Tremelimumab (Ticilimumab) is a fully humanized monoclonal antibody specific for cytotoxic T-lymphocyte antigen-4 (CTLA-4) and can be used for metastatic melanoma research[1].

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

LY125180

LY125180 is a serotonin uptake inhibitor. LY125180 competitively inhibits the uptake of serotonin and norepinephrine by cortical synaptosomes and of dopamine by striatal synaptosomes, with Ki values of 0.06 μM, 2.2 μM and 2.5 μM respectively[1].

  • CAS Number: 74515-39-2
  • MF: C18H24ClNO
  • MW: 305.84
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Scoparone

Scoparone is isolated from Artemisia capillaris, has anticoagulant, vasorelaxant antioxidant, anti-inflammatory activities[1].

  • CAS Number: 120-08-1
  • MF: C11H10O4
  • MW: 206.195
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 369.2±42.0 °C at 760 mmHg
  • Melting Point: 145°C
  • Flash Point: 166.8±27.9 °C

Tubulysin C

Tubulysin C is a highly cytotoxic peptide isolated from the myxobacterial species Archangium geophyra and Angiococcus disciformis. Tubulysin displays extremely potent cytotoxic activity in mammalian cells, including multidrug-resistant cell lines, with IC50 values in the lower nanomolar range[1]. Tubulysin C is a cytotoxic activity tubulysin which inhibits tubulin polymerization and leads to cell cycle arrest and apoptosis[2].

  • CAS Number: 205304-88-7
  • MF: C41H61N5O10S
  • MW: 816.02
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S,R,S)-AHPC-C6-NH2 hydrochloride

(S,R,S)-AHPC-C5-NH2 hydrochloride (VH032-C5-NH2 hydrochloride) is a synthesized E3 ligase ligand-linker conjugate that incorporates the VH032 based VHL ligand and a linker used for AKT PROTAC degrader. (S,R,S)-AHPC-C5-NH2 hydrochloride is XF038-161A, example 6, extracted from patent WO2019173516A1[1].

  • CAS Number: 2360522-76-3
  • MF: C29H44ClN5O4S
  • MW: 594.21
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

bacteriopheophytin

Bacteriopheophytin, a photosynthetic pigment, is a bacterial demagnetised chlorophyll composed of bacterial chlorophyll in which two hydrogen atoms replace the magnesium center. Bacteriopheophytin acts as an electron acceptor in the purple bacterial reaction center (RC) and is involved in electron transfer[1].

  • CAS Number: 17453-58-6
  • MF: C55H76N4O6
  • MW: 889.21500
  • Catalog: Others
  • Density: 1.095g/cm3
  • Boiling Point: 997.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 557.2ºC

Borax

Sodium tetraborate decahydrate can be used as an excipient, such as preservative, mordant. Pharmaceutical excipients, or pharmaceutical auxiliaries, refer to other chemical substances used in the pharmaceutical process other than pharmaceutical ingredients. Pharmaceutical excipients generally refer to inactive ingredients in pharmaceutical preparations, which can improve the stability, solubility and processability of pharmaceutical preparations. Pharmaceutical excipients also affect the absorption, distribution, metabolism, and elimination (ADME) processes of co-administered drugs[1].

  • CAS Number: 1303-96-4
  • MF: B4H20Na2O17
  • MW: 381.37
  • Catalog: Others
  • Density: 1.73 g/mL at 25 °C(lit.)
  • Boiling Point: 320°C
  • Melting Point: 75 °C
  • Flash Point: N/A

Ensitrelvir fumarate

Ensitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2].

  • CAS Number: 2757470-18-9
  • MF: C26H21ClF3N9O6
  • MW: 647.95
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myricetin-3-O-rutinoside

Myricetin-3-O-rutinoside (Compound 3) is a natural product that can be isolated from Picea abies[1].

  • CAS Number: 41093-68-9
  • MF: C27H30O17
  • MW: 626.52
  • Catalog: Others
  • Density: 1.89±0.1 g/cm3(Predicted)
  • Boiling Point: 1053.4±65.0 °C(Predicted)
  • Melting Point: 190-192 °C
  • Flash Point: N/A

(D-2-Nal6)-LHRH acetate salt

Nafarelin is a gonadotropin-releasing hormone (GnRH) agonist that stimulates secretion of luteinizing hormone (LH) and follicle-stimulating hormone (FSH). Sequence: {Glp}-His-Trp-Ser-Tyr-{2-Naph-Ala}-Leu-Arg-Pro-Gly-NH2.

  • CAS Number: 76932-56-4
  • MF: C66H83N17O13
  • MW: 1322.471
  • Catalog: Peptides
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ald-Ph-amido-PEG1-C2-NHS ester

Ald-Ph-amido-PEG1-C2-NHS ester is a nonclaevable 1-unit PEG linker for antibody-drug-conjugation (ADC).

  • CAS Number: 2101206-80-6
  • MF: C17H18N2O7
  • MW: 362.33
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Atto 425-NHS ester

ATTO 425 NHS ester is a new fluorescent marker based on the Rhodamine structure. It has strong absorption, high fluorescence quantum yield, high thermal stability and photochemical stability, and is suitable for single molecule detection and high-resolution microscopy. ATTO 425 NHS ester is an NHS ester derivative of ATTO 425 that can be used to label proteins or antibodies.

  • CAS Number: 892156-28-4
  • MF: C26H30N2O8
  • MW: 498.52500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nitroxynil

Nitroxynil, anthelmintic agent, is active against parasites in both adult and immature stages. Nitroxynil is widely used for the research of infection of Fasciola hepatica[1][2][3].

  • CAS Number: 1689-89-0
  • MF: C7H3IN2O3
  • MW: 290.015
  • Catalog: Infection
  • Density: 2.2±0.1 g/cm3
  • Boiling Point: 280.1±40.0 °C at 760 mmHg
  • Melting Point: 136 - 139ºC
  • Flash Point: 123.2±27.3 °C

ALB-127158(a)

ALB-127158(a) is a potent and selective melanin concentrating hormone 1 (MCH1) receptor antagonist.

  • CAS Number: 1173154-32-9
  • MF: C23H21FN4O2
  • MW: 404.44
  • Catalog: MCHR1 (GPR24)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A