Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others 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

MSA-2 dimer

MSA-2 dimer is a selective, orally active non-nucleotide STING agonist (Kd=145 μM) with long-term antitumor and immunogenic activity. MSA-2 dimer is bound to STING as a non-covalent dimer exhibiting higher permeability than cyclic dinucleotide[1].

  • CAS Number: 2377881-92-8
  • MF: C29H28O8S2
  • MW: 568.66
  • Catalog: STING
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acetyllovastatin

Acetyllovastatin, a acetate of Lovastatin, presentes a moderate inhibitory effect against the enzyme acetylcholinesterase with an IC50 of 79 μg/mL. Lovastatin has been found to display antifungal activity, and suppresses proliferation of a number of transformed cell lines[1].

  • CAS Number: 81189-92-6
  • MF: C26H38O6
  • MW: 446.57600
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fasitibant free base

Fasitibant (free base) is a potent, selective, high affinity, and long-lasting nonpeptide bradykinin B2 (BK2) receptor antagonist. Fasitibant (free base) has proinflammatory effects and can be used for the research of osteoarthritis and rheumatoid arthritis[1].

  • CAS Number: 869939-83-3
  • MF: C36H49Cl2N6O6S+
  • MW: 764.78
  • Catalog: Bradykinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Silybin

Silybin is a flavonolignan isolated from milk thistle (Silybum marianum) seeds. Silybin induces apoptosis and exhibits hepatoprotective, antioxidant, anti-inflammatory, anti-cancer activity[1][2].

  • CAS Number: 802918-57-6
  • MF: C25H22O10
  • MW: 482.43600
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 152-153°C
  • Flash Point: N/A

Crenigacestat(LY3039478)

Crenigacestat (LY3039478) is a novel and potent Notch inhibitor.

  • CAS Number: 1421438-81-4
  • MF: C22H23F3N4O4
  • MW: 464.438
  • Catalog: Notch
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 818.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 448.9±34.3 °C

Ceranib 1

Ceranib1 is a ceramidase inhibitor. Ceranib1 inhibits ceramidase activity toward an exogenous ceramide analog, induces the accumulation of multiple ceramide species, decreases levels of sphingosine and S1P. Ceranib1 inhibits the proliferation of ovarian cancer cells[1].

  • CAS Number: 328076-61-5
  • MF: C26H21NO3
  • MW: 395.45000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sculponeatin O

Sculponeatin O is a ent-kaurane diterpene derivative compound isolated from the plant Isodon sculponeata[1].

  • CAS Number: 1169806-00-1
  • MF: C28H40O4
  • MW: 440.615
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 559.6±30.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 179.8±18.1 °C

Eplerenone

Eplerenone is an aldosterone antagonist with an IC50 of 0.36 μM.Target: Mineralocorticoid ReceptorEplerenone is a selective mineralocorticoid receptor antagonist, which has been shown to produce sustained increases in plasma renin and serum aldosterone, consistent with inhibition of the negative regulatory feedback of aldosterone on renin secretion. The resulting increased plasma renin activity and aldosterone circulating levels do not overcome the effects of eplerenone. Eplerenone selectively binds to recombinant human mineralocorticoid receptors relative to its binding to recombinant human glucocorticoid, progesterone and androgen receptors [1]. Benefits of eplerenone therapy over placebo were also observed in several secondary outcomes, including: death from any cause or hospitalization for HF; death from any cause; hospitalization for any reason; or hospitalization for HF [2].

  • CAS Number: 107724-20-9
  • MF: C24H30O6
  • MW: 414.491
  • Catalog: Mineralocorticoid Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 597.9±50.0 °C at 760 mmHg
  • Melting Point: 241-243ºC
  • Flash Point: 259.5±30.2 °C

(1β,3β)-Spirosta-5,25(27)-dien-1,3-diol

Neoruscogenin, a member of the steroidal sapogenin family, is a bioavailable, potent, and high-affinity agonist of the nuclear receptor RORα (NR1F1)[1].

  • CAS Number: 17676-33-4
  • MF: C27H40O4
  • MW: 428.604
  • Catalog: ROR
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 566.6±50.0 °C at 760 mmHg
  • Melting Point: 196-198℃
  • Flash Point: 296.4±30.1 °C

Ro 20-0657/000

Ro 20-0657/000 is a metabolite of Trimethoprim. Trimethoprim is a dihydrofolate reductase inhibitor, used as an antibacterial agent in human and veterinary medicine[1][2][3].

  • CAS Number: 29606-06-2
  • MF: C14H18N4O4
  • MW: 306.31700
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-His(1-Me)-OH

Fmoc-1-methyl-L-histidine is a Fmoc protected amino acid and can be used as an intermediate for peptide synthesis[1].

  • CAS Number: 202920-22-7
  • MF: C22H21N3O4
  • MW: 391.42000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SHIN 1

SHIN1 is a human serine hydroxymethyltransferse 1 and 2 (SHMT1/2) inhibitor with IC50s of 5 and 13 nM, respectively, in an in vitro assay.

  • CAS Number: 2146095-85-2
  • MF: C24H24N4O2
  • MW: 400.47
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

GCN2iB

GCN2iB is an ATP-competitive inhibitor of a serine/threonine-protein kinase general control nonderepressible 2 (GCN2), with an IC50 of 2.4 nM.

  • CAS Number: 2183470-12-2
  • MF: C18H12ClF2N5O3S
  • MW: 451.83
  • Catalog: Eukaryotic Initiation Factor (eIF)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ITK degrader 2

ITK degrader 2 (compound 30) is a modulator of targeted ubiquitination and a targeted protein degrading molecule. ITK degrader 2 degrades ITK[1].

  • CAS Number: 2858738-65-3
  • MF: C41H49F2N9O3
  • MW: 753.88
  • Catalog: Itk
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Carprofen

Carprofen is a nonsteroid anti-inflammatory agent, acts as a multi-target FAAH/COX inhibitor, with IC50s of 3.9 μM, 22.3 μM and 78.6 μM for COX-2, COX-1 and FAAH, respectively.

  • CAS Number: 53716-49-7
  • MF: C15H12ClNO2
  • MW: 273.714
  • Catalog: Autophagy
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 509.1±35.0 °C at 760 mmHg
  • Melting Point: 186-188ºC
  • Flash Point: 261.7±25.9 °C

1-Ketoaethiopinone

1-Ketoaethiopinone is an abietane-diterpenoid. 1-Ketoaethiopinone has an α, β-unsaturated carbonyl function. 1-Ketoaethiopinone shows cytotoxic activity against human cancer cell lines MOLT-4 (human lymphoblastic leukemia) and MCF-7 (human breast adenocarcinoma)[1].

  • CAS Number: 105062-36-0
  • MF: C20H22O3
  • MW: 310.387
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 467.6±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 200.7±23.9 °C

1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol-d70 sodium

1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol-d70 (sodium) is deuterium labeled 1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol. 1,2-Distearoyl-sn-Glycero-3-Phosphatidylglycerol (sodium) is the component of liposomes for drug delivery[1].

  • CAS Number: 326495-47-0
  • MF: C42H12D70NaO10P
  • MW: 871.49
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rucaparib camsylate

Rucaparib is an inhibitor of PARP with a Ki of 1.4 nM for PARP1, and also shows binding affinity to eight other PARP domains.

  • CAS Number: 1859053-21-6
  • MF: C29H34FN3O5S
  • MW: 555.661
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

H-Arg-Val-Leu-psi(CH2NH)Phe-Glu-Ala-Nle-NH2

HIV-IN petide is a competitive inhibitor of HIV-1 protease (Ki=50 nM)[1].

  • CAS Number: 167875-35-6
  • MF: C40H69N11O8
  • MW: 832.04
  • Catalog: HIV
  • Density: 1.30g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

inh-02

inh-02 (RNF5 inhibitor inh-02) is a novel small molecule inhibitor of E3 ubiquitin ligase RNF5/RMA1; causes significant F508del-CFTR rescue (EC50=2.2 uM) in immortalized and primary bronchial epithelial cells from CF patients homozygous for the F508del mutation, decreases ubiquitylation of mutant CFTR, causing stabilization of the mature form of CFTR; inh-2 acts on ATG4B and paxillin, which are known targets downstream of RNF5.

  • CAS Number: 324579-65-9
  • MF: C23H20N4S
  • MW: 384.501
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eschweilenol C

Eschweilenol C is a compound derivative ellagic acid from the aqueous fraction of the ethanolic extract of Terminalia fagifolia Mart.[1].

  • CAS Number: 211371-02-7
  • MF: C20H16O12
  • MW: 448.34
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Magnoflorine Iodide

(+)-Magnoflorine iodide (Magnoflorine iodide), an aporphine alkaloid found in Acoruscalamus, reduces the formation of C. albicans biofilm[1]. (+)-Magnoflorine iodide has anti-fungal, anti-antidiabetic and anti-oxidative activity[2].

  • CAS Number: 4277-43-4
  • MF: C20H24INO4
  • MW: 469.31300
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 248-249ºC
  • Flash Point: N/A

3-Phenyltoxoflavin

3-Phenyltoxoflavin, a derivative of Toxoflavin, is an Hsp90 inhibitor, with a Kd of 585 nM for the interaction of Hsp90-TPR2A. 3-Phenyltoxoflavin has anti-cancer activity[1][2].

  • CAS Number: 32502-63-9
  • MF: C13H11N5O2
  • MW: 269.25900
  • Catalog: HSP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CYM 5442 hydrochloride

CYM5442 hydrochloride is a potent, highly-selective and orally active sphingosine 1-phosphate (S1P1) receptor agonist with an EC50 of 1.35 nM. CYM5442 hydrochloride is inactive against S1P2, S1P3, S1P4, and S1P5. CYM5442 hydrochloride activates S1P1-dependent p42/p44-MAPK phosphorylation. CYM5442 exerts retinal neuroprotection. CYM5442 hydrochloride can easily penetrate the central nervous system (CNS)[1][2].

  • CAS Number: 1783987-80-3
  • MF: C23H28ClN3O4
  • MW: 445.94
  • Catalog: LPL Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AZD3264

AZD3264 is a selective IkB-kinase IKK2 inhibitor.

  • CAS Number: 1609281-86-8
  • MF: C21H23N5O4S
  • MW: 441.503
  • Catalog: IKK
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 614.2±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 325.2±31.5 °C

Alpelisib hydrochloride

Alpelisib hydrochloride (BYL-719 hydrochloride) is a potent and selective PI3Kα inhibitor with IC50s of 5 nM, 250 nM, 290 nM and 1200 nM for p110α, p110γ, p110δ, and p110β, respectively[1].

  • CAS Number: 1584128-91-5
  • MF: C19H23ClF3N5O2S
  • MW: 477.93
  • Catalog: PI3K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Diethyl-amine-d10 Hydrochloride

Diethyl-amine-d10 (Hydrochloride) is the deuterium labeled Diethylamine hydrochloride[1].

  • CAS Number: 285132-87-8
  • MF: C4H2ClD10N
  • MW: 119.65900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 227-230ºC(lit.)
  • Flash Point: N/A

Biotin-PEG23-amine

Biotin-nPEG-amine is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs.

  • CAS Number: 604786-74-5
  • MF: C16H30N4O4S
  • MW: 770.972
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 870.4±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 480.2±34.3 °C

KANAMYCIN SULFATE

Kanamycins sulfate is a broad-spectrum antibiotic, can be used in certain severe staphylococcal or Gram-negative bacillary infections. Kanamycin sulfate has certain ototoxicity[1][2].

  • CAS Number: 70560-51-9
  • MF: C18H38N4O15S
  • MW: 582.577
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 943.2ºC at 760 mmHg
  • Melting Point: 250ºC
  • Flash Point: 524.2ºC

BP 897

BP 897 is a potent and selective dopamine D3 receptor agonist, and a weak dopamine D2 receptor antagonist, with Kis of 0.92 nM and 61 nM for D3 and D2 receptors, and shows low affinities at D1 and D4 receptors (Kis, 3 and 0.3 µM, respectively).

  • CAS Number: 314776-92-6
  • MF: C26H32ClN3O2
  • MW: 454.004
  • Catalog: Dopamine Receptor
  • Density: N/A
  • Boiling Point: 654.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 349.6ºC