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

Aganepag

Aganepag is a potent Prostanoid EP2 receptor agonist, with an EC50 of 0.19 nM, and shows no activity at EP4 receptor. Aganepag can be used in the research of wound healing, scar reduction, scar prevention and wrinkle treatment and prevention.

  • CAS Number: 910562-18-4
  • MF: C24H31NO4S
  • MW: 429.57200
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-Anabasine hydrochloride

(+)-Anabasine hydrochloride is an alkaloid found in Nicotiana, and it is a potent nAChR agonist. (+)-Anabasine hydrochloride induces depolarization of TE671 cells endogenously expressing human fetal muscle-type nAChRs with an EC50 of 0.7 µM[1][2].

  • CAS Number: 53912-89-3
  • MF: C10H15ClN2
  • MW: 198.69200
  • Catalog: nAChR
  • Density: 1.014g/cm3
  • Boiling Point: 271ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 93.3ºC

zinc phthalocyanine

Zinc phthalocyanine is commonly applied in industry (catalysts, photoconductors) and biomedical (photodynamic therapy, PDT)[1]. Zinc phthalocyanine can be used to photooxidise cyclohexane[2].

  • CAS Number: 14320-04-8
  • MF: C32H16N8Zn
  • MW: 577.90
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

M867

M867 is a selective and reversible inhibitor of caspase-3 with an IC50 of 1.4 nM and Ki of 0.7 nM. M867 has anti apoptotic activity[1].

  • CAS Number: 680999-39-7
  • MF: C27H43N7O6
  • MW: 561.67
  • Catalog: Caspase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N3-Methyl-2’-O-(2-methoxyethyl)uridine

N3-Methyl-2’-O-(2-methoxyethyl)uridine is a uridine analogue. Uridine has potential antiepileptic effects, and its analogs can be used to study anticonvulsant and anxiolytic activities, as well as to develop new antihypertensive agents[1].

  • CAS Number: 2305416-12-8
  • MF: C13H20N2O7
  • MW: 316.31
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Antibacterial agent 45

Antibacterial agent 45, an antibacterial agent, significantly lowers MIC value of antibacterial agent Ceftazidime[1].

  • CAS Number: 1426572-50-0
  • MF: C13H12N5NaO6S
  • MW: 389.32
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Altertoxin I

Altertoxin I (Dihydroalterperylenol) is a quinone-type mycotoxin produced by Alternaria alternata fungi, which is mutagenic and cytotoxic, and can weakly disrupts metabolic communication[1].

  • CAS Number: 56258-32-3
  • MF: C20H16O6
  • MW: 352.33700
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Compstatin control peptide

Compstatin control peptide is a complement inhibitor.

  • CAS Number: 301544-78-5
  • MF: C66H101N23O17
  • MW: 1488.652
  • Catalog: Complement System
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(6-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

N6-Aminoadenosine is an adenosine analogue. Adenosine analogs mostly act as smooth muscle vasodilators and have also been shown to inhibit cancer progression. The popular products in this series are adenosine phosphate, Acadesine (HY-13417), Clofarabine (HY-A0005), Fludarabine phosphate (HY-B0028) and Vidarabine (HY-B0277)[1].

  • CAS Number: 5746-27-0
  • MF: C10H14N6O4
  • MW: 282.26
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.12g/cm3
  • Boiling Point: 723.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 391.4ºC

CXCR7 antagonist-1

CXCR7 antagonist-1 is an inhibitor of the binding of the SDF-1 chemokine (CXCL12 chemokine) or I-TAC (CXCL11) to the chemokine receptor CXCR. CXCR7 antagonist-1 prevents tumor cell proliferation, tumor formation, inflammatory diseases, and many other diseases (extracted from patent WO2014085490A1, compound 1.128)[1].

  • CAS Number: 1613021-99-0
  • MF: C21H19FN6O
  • MW: 390.41
  • Catalog: CXCR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1-(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenoxy)-3,6,9,12-tetraoxapentadecan-15-oic acid

Methyltetrazine-PEG4-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1802907-91-0
  • MF: C20H28N4O7
  • MW: 436.459
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 647.6±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 345.5±34.3 °C

Loganetin

Loganetin is a non-toxic natural product that may be applied in the antibacterial drug development for treating multidrug-resistant Gram negative infections.

  • CAS Number: 29748-10-5
  • MF: C11H16O5
  • MW: 228.242
  • Catalog: Bacterial
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 375.7±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 145.5±21.4 °C

(±)-Muscarine chloride

(±)-Muscarine chloride is the racemate of Muscarine chloride. Muscarine is a prototype muscarinic acetylcholine receptor agonist[1][2].

  • CAS Number: 2936-25-6
  • MF: C9H20ClNO2
  • MW: 209.71400
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 180-181ºC
  • Flash Point: N/A

Amyloid β-Protein (29-40)

β-Amyloid (29-40) is a fragment of Amyloid-β peptide.

  • CAS Number: 184865-04-1
  • MF: C49H88N12O13S
  • MW: 1085.36000
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rucaparib intermediate

Rucaparib (AG014699) hydrochloride is an orally active, potent inhibitor of PARP proteins (PARP-1, PARP-2 and PARP-3) with a Ki of 1.4 nM for PARP1. Rucaparib hydrochloride is a modest hexose-6-phosphate dehydrogenase (H6PD) inhibitor. Rucaparib hydrochloride has the potential for castration-resistant prostate cancer (CRPC) research[1][2][3][4].

  • CAS Number: 773059-19-1
  • MF: C19H19ClFN3O
  • MW: 359.82500
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DL-Tyrosine

DL-Tyrosine is an aromatic nonessential amino acid synthesized from the essential amino acid phenylalanine. DL-Tyrosine is a precursor for several important neurotransmitters (epinephrine, norepinephrine, dopamine)[1].

  • CAS Number: 556-03-6
  • MF: C9H11NO3
  • MW: 181.189
  • Catalog: Neurological Disease
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 385.2±32.0 °C at 760 mmHg
  • Melting Point: >300ºC
  • Flash Point: 186.7±25.1 °C

metyrapone

Metyrapone is an inhibitor of cytochrome P450-mediated ω/ω-1 hydroxylase activity and CYP11B1.Target: CYP11B1Metyrapone is a drug used in the diagnosis of adrenal insufficiency and occasionally in the treatment of Cushing's syndrome (hypercortisolism). Metyrapone blocks cortisol synthesis by reversibly inhibiting steroid 11β-hydroxylase. This stimulates ACTH secretion, which in turn increases plasma 11-Deoxycortisol levels.

  • CAS Number: 54-36-4
  • MF: C14H14N2O
  • MW: 226.274
  • Catalog: Autophagy
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 384.4±22.0 °C at 760 mmHg
  • Melting Point: 53-56ºC
  • Flash Point: 189.3±28.8 °C

trans-3-Hydroxycinnamic acid

(E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an aromatic acid that highly abundant in food. (E)-m-Coumaric acid (3-Hydroxycinnamic acid) is an antioxidant.

  • CAS Number: 14755-02-3
  • MF: C9H8O3
  • MW: 164.158
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 373.2±25.0 °C at 760 mmHg
  • Melting Point: 193-195 °C(lit.)
  • Flash Point: 193.7±19.7 °C

Phenytoin-15n2,13c

Phenytoin-15N2,13C is the 13C and 15N labeled Phenytoin[1]. Phenytoin (5,5-Diphenylhydantoin) is a potent Voltage-gated Na+ channels (VGSCs) blocker. Phenytoin has antiepileptic activity and reduces breast tumour growth and metastasis in mice[2][3].

  • CAS Number: 78213-26-0
  • MF: C1413CH1215N2O2
  • MW: 255.25
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Telomerase-IN-2

Telomerase-IN-2 is a telomerase inhibitor, and inhibits telomerase activity by decreasing expression of dyskerin, with an IC50 of 0.89 µM. Anti-cancer activity[1].

  • CAS Number: 1610878-54-0
  • MF: C34H39N3O9
  • MW: 633.69
  • Catalog: Telomerase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ethyl phenylacetate

Ethyl phenylacetate is a natural flavouring ingredien, and its sensory threshold is near 73 µg/L. Ethyl phenylacetate is a “greener" solvent with low toxicity. Ethyl phenylacetate is a non-mutagenic and is a Kosher food additive. Ethyl phenylacetate gives to the wines a strong honey-like character[1][2][3].

  • CAS Number: 101-97-3
  • MF: C10H12O2
  • MW: 164.201
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 224.8±9.0 °C at 760 mmHg
  • Melting Point: -29 °C
  • Flash Point: 77.8±0.0 °C

ZH8667

ZH8667 is a trace amine-associated receptor 1 (TAAR1) –Gs agonist. ZH8667 can be used for the research of schizophrenia[1].

  • CAS Number: 910387-04-1
  • MF: C14H14FN
  • MW: 215.27
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hypaconitine

Hypaconitine, an active and highly toxic constituent derived from Aconitum species, is widely used to treat rheumatism. IC50 value:Target:In vitro: The present study investigated the metabolism of hypaconitine in vitro using male human liver microsomes. The primary contributors toward HA metabolism were CYP3A4 and 3A5, with secondary contributions by CYP2C19, 2D6 and CYP2E1 [1].In vivo:

  • CAS Number: 6900-87-4
  • MF: C33H45NO10
  • MW: 615.711
  • Catalog: TNF Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 671.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 359.8±31.5 °C

(R)-Lercanidipine Hydrochloride

(R)-Lercanidipine hydrochloride is the R-enantiomer of Lercanidipine. (R)-lercanidipine hydrochloride is a calcium channel blocker[1].

  • CAS Number: 187731-34-6
  • MF: C36H42ClN3O6
  • MW: 648.188
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 175-177ºC
  • Flash Point: N/A

Dalpiciclib

Dalpiciclib (SHR-6390) is a highly selective, orally bioavailable CDK4/6 inhibitor with comparable potencies against CDK4 (IC50=12.4 nM) and CDK6 (IC50=9.9 nM). Dalpiciclib exerts potent antitumor activity in esophageal squamous cell carcinoma by inhibiting phosphorylated tumor-suppressor retinoblastoma protein (Rb) and inducing G1 cell cycle arrest[1][2].

  • CAS Number: 1637781-04-4
  • MF: C25H30N6O2
  • MW: 446.54
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cefazedone

Cefazedone (Refosporen) is a first-generation cephalosporin with activity against Gram-positive and Gram-negative bacteria, and it is effective in the treatment of infections caused by sensitive bacteria. Cefazedone is a time-dependent antibiotic, the time of concentration exceeds the minimum inhibitory concentration (MIC) is the key pharmacokinetic-pharmacodynamic (PK-PD) variable associated with the killing of pathogens[1].

  • CAS Number: 56187-47-4
  • MF: C18H15Cl2N5O5S3
  • MW: 548.443
  • Catalog: Bacterial
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ac4GalNAl

Ac4GalNAl is an alkyl chain-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1673590-09-4
  • MF: C19H25NO10
  • MW: 427.40
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Estrogen receptor α antagonist 1

Estrogen receptor α antagonist 1 (compound 35) is a highly selective antagonist of estrogen receptor α, with IC50s of 0.02, 6.55 and 7.73 μM for estrogen receptor α, estrogen receptor β and MCF-7 cells, respectively. Estrogen receptor α antagonist 1 (compound 35) can be used for the research of cancer[1].

  • CAS Number: 2580941-45-1
  • MF: C26H32N2O5
  • MW: 452.54
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Echimidine

Echimidine ((+)-Echimidine) is the major alkaloid detected in the honey used to produce the mead[1].

  • CAS Number: 520-68-3
  • MF: C20H31NO7
  • MW: 397.46300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 535.7±50.0 °C at 760 mmHg
  • Melting Point: >133 °C(dec.)
  • Flash Point: N/A

Hexazinone-d6

Hexazinone-d6 is the deuterium labeled Hexazinone[1]. Hexazinone is a nonselective herbicide from the triazine family. Hexazinone binds to the D-1 quinone protein of the electron transport chain in photosystem II to inhibit the photosynthesis[2].

  • CAS Number: 1219804-22-4
  • MF: C12H14D6N4O2
  • MW: 258.350
  • Catalog: Infection
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 332.8±25.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 155.1±23.2 °C