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

Pumosetrag Hydrochloride

Pumosetrag Hydrochloride (MKC-733; DDP-733) is an orally available 5-HT3 partial agonist developed for the treatment of irritable bowel syndrome and gastroesophageal reflux disease.

  • CAS Number: 194093-42-0
  • MF: C15H18ClN3O2S
  • MW: 339.840
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: 529.9ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 274.3ºC

4’-C-Methyl-4-deoxyuridine

4’-C-Methyl-4-deoxyuridine 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: 1064364-21-1
  • MF:
  • MW:
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

thiocystine

Thiocystine is a relatively stable trisulfide analog of Cystine. Thiocystine functions as a persullide in transferring its sulfane sulfur to thiophilic acceptors[1][2].

  • CAS Number: 14172-54-4
  • MF: C6H12N2O4S3
  • MW: 272.36500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Topoisomerase I inhibitor 11

Topoisomerase I inhibitor 11 is a potent inhibitor of Topoisomerase I. Topoisomerase I inhibitor 11 can bind to BTK[1].

  • CAS Number: 2922723-28-0
  • MF: C47H52N12O4
  • MW: 848.99
  • Catalog: Topoisomerase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Desketoraloxifene

Desketoraloxifene is an estrogen receptors alpha (ERα) activator at an AP-1 site. Desketoraloxifene can be used for the research of osteoporosis and breast cancer[1].

  • CAS Number: 216570-81-9
  • MF: C27H27NO3S
  • MW: 445.57
  • Catalog: Cancer
  • Density: 1.256±0.06 g/cm3
  • Boiling Point: 641.1±55.0 °C
  • Melting Point: N/A
  • Flash Point: N/A

AVE 0991

AVE 0991 is a nonpeptide and orally active angiotensin-(1-7) receptor agonist with an IC50 of 21 nM.

  • CAS Number: 304462-19-9
  • MF: C29H32N4O5S2
  • MW: 580.718
  • Catalog: Angiotensin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PHD2-IN-1

PHD2-IN-1 is a potent and orally active inhibitor of HIF prolyl hydroxylase 2 (PHD2) with an IC50 of 22.53 nM. PHD2-IN-1 can be used for anemia research[1].

  • CAS Number: 2768219-28-7
  • MF: C21H23ClN4O5
  • MW: 446.88
  • Catalog: HIF/HIF Prolyl-Hydroxylase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ceftobiprole medocaril sodium

Ceftobiprole medocaril (BAL5788) sodium is the parenteral prodrug of Ceftobiprole (HY-112579). Ceftobiprole is a parenteral pyrrolidinone cephalosporin. Ceftobiprole is a broad-spectrum cephalosporin with high levels of in vitro activity against methicillin- (MRSA) and vancomycin-resistant staphylococci (VRSA) and penicillin-resistant streptococci. Ceftobiprole also inhibits gram-positive and gram-negative pathogens[1][2].

  • CAS Number: 252188-71-9
  • MF: C26H25N8NaO11S2
  • MW: 712.64
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TIM-063

TIM-063 (TIM063) is a potent, selective, ATP-competitive CaMKK inhibitor with Ki of 0.35/0.2 uM for CaMKKα and CaMKKβ, respectively.TIM-063 directly targets the catalytic domain of CaMKK, similar to STO-609.TIM-063 suppressed the ionomycin-induced phosphorylation of exogenously expressed CaMKI, CaMKIV, and endogenous AMPKα in HeLa cells with an IC50 of 0.3 uM.TIM-063 suppressed CaMKK isoform-mediated CaMKIV phosphorylation in transfected COS-7 cells.TIM-063 displayed cell permeability and the ability to inhibit CaMKK activity in cells. TIM-063 is a useful chemical probe for the precise analysis of CaMKK-mediated signaling pathways.

  • CAS Number: 2493978-38-2
  • MF: C18H9N3O4
  • MW: 331.287
  • Catalog: CaMK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

D-(-)-Quinic acid

D-(-)-Quinic acid is a cyclohexanecarboxylic acid and is implicated in the perceived acidity of coffee.

  • CAS Number: 77-95-2
  • MF: C7H12O6
  • MW: 192.167
  • Catalog: Apoptosis
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 438.4±45.0 °C at 760 mmHg
  • Melting Point: 165-170 °C
  • Flash Point: 233.1±25.2 °C

Anticancer agent 72

Anticancer agent 72 (compound 8c) is a potent inhibitor of K+ channel. Anticancer agent 72 induces apoptosis[1].

  • CAS Number: 2460167-51-3
  • MF: C20H19N7O2
  • MW: 389.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Lacutamab

Lacutamab (IPH4102) is a humanized monoclonal antibody (mAb) directed against the immune receptor molecule KIR3DL2, produced by recombinant technology in CHO cells. Lacutamab can be used in research of cutaneous T-cell lymphoma[1].

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

Deoxycalyciphylline B

Deoxycalyciphylline B is a hepatotoxic alkaloid that can be isolated from Daphniphyllum calycinum[1].

  • CAS Number: 619326-74-8
  • MF: C22H31NO2
  • MW: 341.49
  • Catalog: Metabolic Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 502.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 167.9±21.0 °C

STX-478

STX-478 (compound 80) is an oral CNS-penetrant allosteric mutant-selective PI3Kα inhibitor. STX-478 STX-478 shows robust and durable tumor regression and can be used in cancer research[1].

  • CAS Number: 2883540-92-7
  • MF: C16H12F5N5O2
  • MW: 401.29
  • Catalog: PI3K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

A-69412

A-69412 is a reversible, specific inhibitor of the hydrophilic 5-lipoxygenase (5-LO).

  • CAS Number: 123606-23-5
  • MF: C7H10N2O3
  • MW: 170.16600
  • Catalog: 5-Lipoxygenase
  • Density: 1.33g/cm3
  • Boiling Point: 325.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 150.5ºC

Glycine, N,N-diethyl-, hydrochloride

Diethylglycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 1606-01-5
  • MF: C6H14ClNO2
  • MW: 167.634
  • Catalog: Others
  • Density: 1.013g/cm3
  • Boiling Point: 203.2ºC at 760mmHg
  • Melting Point: 126-130°C (lit.)
  • Flash Point: 76.7ºC

Alpha-ketoisocaproic acid-13C5 sodium

Alpha-ketoisocaproic acid-13C5 (sodium) is the 13C labeled Alpha-ketoisocaproic acid sodium[1].

  • CAS Number: 2483736-03-2
  • MF: 13C6H10NaO3
  • MW: 159.09
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Galanin-B2

Galanin-B2 (NAX-5055) has activity in the epilepsy model. Galanin-B2 can penetrate the blood-brain-barrier[1].

  • CAS Number: 944087-28-9
  • MF: C104H174N24O22
  • MW: 2112.64
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Deltorphin I TFA

Deltorphin I is a δ-opioid receptor agonist with high affinity and selectivity.

  • CAS Number: 122752-15-2
  • MF: C37H52N8O10
  • MW: 768.85600
  • Catalog: Peptides
  • Density: 1.284g/cm3
  • Boiling Point: 1242.4ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 705.2ºC

FTI 276 TFA

FTI-276 is a protein farnesyl transferase (PFT) inhibitor with IC50s of 0.9 nM and 0.5 nM for Plasmodium falciparum and human, respectively[1].

  • CAS Number: 1217471-51-6
  • MF: C23H28F3N3O5S2
  • MW: 547.61
  • Catalog: Farnesyl Transferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

mTOR Inhibitor 1

mTOR Inhibitor 1 is a highlt potent, selective and oral mTOR inhibitor with an IC50 of 7 nM. mTOR Inhibitor 1 inhibits cellular phosphorylation of mTORC1 (pS6 and p4E-BP1) and mTORC2 (pAKT (S473)) substrates[1].

  • CAS Number: 2219323-96-1
  • MF: C23H21N7O
  • MW: 411.46
  • Catalog: mTOR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Acid-apeg6-acid n-boc

N-Boc-N-bis(PEG3-acid) is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2055023-35-1
  • MF: C23H43NO12
  • MW: 525.59
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TCS PIM-1 1

TCS PIM-1 1(sc-204330) is a potent and selective ATP-competitive Pim-1 kianse inhibitor with IC50 of 50 nM, displays good selectivity over Pim-2 and MEK1/MEK2(IC50s >20,000 nM).IC50 value: 50 nM [1]Target: Pim-1TCS PIM-1 1 bound convincingly within the ATP-binding site of Pim-1 suggesting an ATP-competitive inhibitory mechanism. Preliminary data further suggested that 1 lacked in vitro inhibitory activity toward related serine/threonine kinases Pim-2 and MEK1/2 (IC50 > 20 lM). Hence, small molecules similar to TCS PIM-1 1 may serve as useful starting scaffolds for the development of other improved yet selective Pim-1 inhibitors.

  • CAS Number: 491871-58-0
  • MF: C18H11BrN2O2
  • MW: 367.196
  • Catalog: Pim
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 592.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 312.2±30.1 °C

Chitin synthase inhibitor 14

Chitin synthase inhibitor 14 (compound 4n) is chitin synthase (CHS) inhibitor. Chitin synthase inhibitor 14 has antifungal activity while possessed the potency against drug-resistant fungal variants[1].

  • CAS Number: 2922114-19-8
  • MF: C25H26ClN5O5
  • MW: 511.96
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Estrogen receptor modulator 8

Estrogen receptor modulator 8 (compound 4) is an orally active inhibitor of Estrogen Receptor/ERR α (IC50=0.437 nM, MCF-7 cells). Estrogen receptor modulator 8 inhibits MCF-7 cells proliferation with an IC50 value of 0.1 nM[1].

  • CAS Number: 2170766-56-8
  • MF: C25H24F4N2O2
  • MW: 460.46
  • Catalog: Endocrinology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Yuanhuadin

Yuanhuadin, extracted from Genkwa Flos Daphne genkwa, has antitumor activity through inhibiting Akt/mTOR and EGFR pathways, induce cell-cycle arrest and abortion[1].

  • CAS Number: 76402-66-9
  • MF: C32H42O10
  • MW: 586.67000
  • Catalog: EGFR
  • Density: 1.34g/cm3
  • Boiling Point: 704.4ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 222.4ºC

1-Ethyl-4-methoxy-β-carboline

Crenatine is an antibacterial agent. Crenatine is more effective against Gram-positive than Gram-negative bacteria[1].

  • CAS Number: 26585-14-8
  • MF: C14H14N2O
  • MW: 226.27
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 427.2±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 141.4±17.0 °C

SEP-0372814

PDE10-IN-2 is a PDE10 inhibitor with an IC50≦0.01 μM[1].

  • CAS Number: 1516895-53-6
  • MF: C21H19N7
  • MW: 369.42246
  • Catalog: Phosphodiesterase (PDE)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nimbolide

Nimbolide is a triterpene derived from the leaves and flowers of neem (Azadirachta indica L). Nimbolide induces apoptosis through inactivation of NF-κB. Nimbolide inhibits CDK4/CDK6 kinase activity. Nimbolide suppresses the NF-κB, Wnt, PI3K-Akt, MAPK and JAK-STAT signaling pathways[1].

  • CAS Number: 25990-37-8
  • MF: C27H30O7
  • MW: 466.52
  • Catalog: CDK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 608.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 321.9±31.5 °C

Epoxomicin

Epoxomicin is a cell-permeable and irreversible proteasome inhibitor, primarily the chymotrypsin-like activity.

  • CAS Number: 134381-21-8
  • MF: C28H50N4O7
  • MW: 554.719
  • Catalog: Proteasome
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 795.7±60.0 °C at 760 mmHg
  • Melting Point: 107-109ºC
  • Flash Point: 435.0±32.9 °C