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

SARS-CoV-2-IN-44

SARS-CoV-2-IN-44, a inhibitor of SARS-CoV-2, inhibits viral replication, with an EC50 of 0.6μM. SARS-CoV-2-IN-44 has no evident cytotoxic effect in Calu-3 cells and can be used for antiviral research[1].

  • CAS Number: 1311271-71-2
  • MF: C18H16O5
  • MW: 312.32
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-PEG7-CH2CH2CHO

m-PEG7-CH2CH2CHO is a non-cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).

  • CAS Number: 1234369-95-9
  • MF: C18H36O9
  • MW: 396.47300
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tigloidin

Tigloidin is an analogue of atropine, with anticholinergic activity.

  • CAS Number: 495-83-0
  • MF: C13H21NO2
  • MW: 223.31100
  • Catalog: Others
  • Density: 1.06g/cm3
  • Boiling Point: 290.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 99.9ºC

STL5-T-0057

STL5-T-0057 (compound 68) is an selective ALDH1 B1 inhibitor with an IC50 value of 30 nM. STL5-T-0057 inhibits cell growth of SW480 cells in adherent and spheroid conditions with IC50 values of 2.46 and 0.39 μM, respectively. STL5-T-0057 can be used for the research of cancer[1].

  • CAS Number: 2756014-24-9
  • MF: C26H24ClN3O2
  • MW: 445.94
  • Catalog: Aldehyde Dehydrogenase (ALDH)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Linagliptin-d4

Linagliptin-d4 is deuterium labeled Linagliptin. Linagliptin is a highly potent, selective DPP-4 inhibitor with IC50 of 1 nM.

  • CAS Number: 2140263-92-7
  • MF: C25H24D4N8O2
  • MW: 476.57
  • Catalog: Ferroptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

24:0 L-carnitine-d4

24:0 L-carnitine-d4 is deuterium labeled 24:0 L-carnitine.

  • CAS Number: 2260670-68-4
  • MF: C31H57D4NO4
  • MW: 515.84
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ZGN-1061

ZGN-1061 (Aclimostat) is a novel potent, selective Methionine aminopeptidase 2 (MetAP2) inhibitor being investigated for treatment of diabetes and obesity; reduces body weight in diet-induced obese (DIO) insulin-resistant mice, also produced improvements in metabolic parameters, including plasma glucose and insulin, and, in HepG2 cells, initiated gene changes similar to beloranib; does not increase coagulation markers in dogs and ZGN-1061 had a greatly improved safety profile in rats relative to beloranib. Diabetes Phase 2 Clinical

  • CAS Number: 2082752-83-6
  • MF: C26H42N2O6
  • MW: 478.63
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(R)-FT709

(R)-FT709 is an active compound. (R)-FT709 can be used for the research of cancers[1].

  • CAS Number: 2413991-75-8
  • MF: C23H22N4O7S
  • MW: 498.51
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

p53 Activator 7

p53 Activator 7 is a p53 mutation Y220C (MDM-2/p53) activator with an EC50 of 104 nM. p53 Activator 7 can bind to p53 mutant and restore its ability to bind DNA (WO2022213975A1; Example B-1)[1].

  • CAS Number: 2849340-59-4
  • MF: C27H32F3N4OP
  • MW: 516.54
  • Catalog: MDM-2/p53
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Secologanin

Secologanin, a secoiridoid glucoside, is a pivotal terpenoid intermediate in the biosynthesis of biologically active monoterpenoid indole alkaloids such as reserpine, ajmaline, and vinblastine. Secologanin synthase (cytochrome P450 isoform CYP72A1) catalyzes the oxidative cleavage of loganin into Secologanin[1][2].

  • CAS Number: 19351-63-4
  • MF: C17H24O10
  • MW: 507.74400
  • Catalog: Others
  • Density: 1.42g/cm3
  • Boiling Point: 595.5ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 212.2ºC

DMPE

DMPE is the dimyristoylphosphatidylcholine. DMPE is a liposome used to deliver drugs[1].

  • CAS Number: 20255-95-2
  • MF: C33H66NO8P
  • MW: 635.85300
  • Catalog: Others
  • Density: 1.027g/cm3
  • Boiling Point: 685.6ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 368.5ºC

Z-Gly-Gly-Phe-OH

Z-Gly-Gly-Phe-OH is an active compound. Z-Gly-Gly-Phe-OH can be used for the synthesis of enzymic peptide[1].

  • CAS Number: 13171-93-2
  • MF: C21H23N3O6
  • MW: 413.42400
  • Catalog: Others
  • Density: 1.301 g/cm3
  • Boiling Point: 771.2ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 420.2ºC

N,2-Dimethylalanine

α-(Methylamino)isobutyric acid is a specific substrate for amino acid transport system A (ATA1). ATA mediate the uptake of short-chain neutral amino acids in a Na+-dependent manner[1].

  • CAS Number: 2566-34-9
  • MF: C5H11NO2
  • MW: 117.146
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 192.5±23.0 °C at 760 mmHg
  • Melting Point: > 300ºC
  • Flash Point: 70.2±22.6 °C

N-(azide-PEG3)-N'-(Amine-C3-Amide-PEG4)-Cy5

N-(azide-PEG3)-N'-(Amine-C3-Amide-PEG4)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2107273-70-9
  • MF: C47H70ClN7O8
  • MW: 896.55
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Gliclazide

Gliclazide is a whole-cell beta-cell ATP-sensitive potassium currents blocker with an IC50 of 184 nM.Target: Potassium Channelgliclazide further characterize its mechanism of hypoglycemic effect: the observed improvements in insulin sensitivity and in GLUT4 translocation indicate that gliclazide counters the hydrogen peroxide-induced insulin resistance in 3T3L1 adipocytes and also would further augment the hypoglycemic effect of this drug as insulinotropic sulfonylurea [1]. Gliclazide blocked whole-cell beta-cell KATP currents with an IC50 of 184 +/- 30 nmol/l (n = 6-10) but was much less effective in cardiac and smooth muscle (IC50s of 19.5 +/- 5.4 micromol/l (n = 6-12) and 37.9 +/- 1.0 micromol/l (n = 5-10), respectively). In all three tissues, the action of the drug on whole-cell KATP currents was rapidly reversible. In inside-out patches on beta-cells, gliclazide (1 micromol/l) produced a maximum of 66 +/- 13 % inhibition (n = 5), compared with more than 98 % block in the whole-cell configuration. Gliclazide is a high-potency sulphonylurea which shows specificity for the pancreatic beta-cell KATP channel over heart and smooth muscle. In this respect, it differs from glibenclamide [2].

  • CAS Number: 21187-98-4
  • MF: C15H21N3O3S
  • MW: 323.410
  • Catalog: Potassium Channel
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 163-169 °C(lit.)
  • Flash Point: N/A

Daphnilongeranin A

Daphnilongeranin A is a natural product, that can be isolated from Daphniphyllum longeracemosum[1].

  • CAS Number: 874201-05-5
  • MF: C23H29NO4
  • MW: 383.48
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 541.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 281.2±30.1 °C

AZD-0284

AZD-0284 is an inverse agonist of the nuclear receptor RORγ. In development for the treatment of plaque psoriasis vulgaris and respiratory tract disorders[1].

  • CAS Number: 2101291-07-8
  • MF: C21H18F6N2O5S
  • MW: 524.43
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PROTAC BRD9 Degrader-4

PROTAC BRD9 Degrader-4 is a BRD9 bifunctional degrader for treating cancer.

  • CAS Number: 2633632-34-3
  • MF: C42H49FN6O7
  • MW: 768.87
  • Catalog: PROTAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Hydroxyethylamine

Hydroxyethylamine (Compd VII) is a SARS-CoV-2 3CLpro inhibitor with an IC50 of ~10 μM in the spread assay. Hydroxyethylamine has potent antiviral activities[1].

  • CAS Number: 1418733-36-4
  • MF: C25H41N3O3
  • MW: 431.61
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nurr1 agonist 7

Nurr1 agonist 7 (compound 110) is a Nurr1 agonist with an EC50 value of 0.12 μM[1].

  • CAS Number: 228707-95-7
  • MF: C18H20O3
  • MW: 284.35
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(3S,5R)-Rosuvastatin

(3S,5R)-Rosuvastatin is the (3S,5R)-enantiomer of Rosuvastatin. Rosuvastatin is a competitive HMG-CoA reductase inhibitor with an IC50 of 11 nM[1]. Rosuvastatin potently blocks human ether-a-go-go related gene (hERG) current with an IC50 of 195 nM[2]. Rosuvastatin reduces the expression of the mature hERG and the interaction of heat shock protein 70 (Hsp70) with the hERG protein. Rosuvastatin is very effective in lowering low-density lipoprotein (LDL) cholesterol, triglycerides, and C-reactive protein levels[3].

  • CAS Number: 1242184-42-4
  • MF: C22H28FN3O6S
  • MW: 481.53800
  • Catalog: Autophagy
  • Density: 1.368±0.06 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Amino Tadalafil

Amino Tadalafil is an analog of tadalafil. Tadalafil is a potent inhibitor of phosphodiesterase 5 with applications in several conditions, including erectile dysfunction, pulmonary arterial hypertension, and lower urinary tract dysfunction.

  • CAS Number: 385769-84-6
  • MF: C21H18N4O4
  • MW: 390.392
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 678.9±65.0 °C at 760 mmHg
  • Melting Point: 280-282ºC
  • Flash Point: 364.4±34.3 °C

Clonidine hydrochloride

Clonidine hydrochloride is an agonist of α2-adrenoceptor and potent antihypertensive agent.

  • CAS Number: 4205-91-8
  • MF: C9H10Cl3N3
  • MW: 266.555
  • Catalog: Adrenergic Receptor
  • Density: N/A
  • Boiling Point: 319.3ºC at760mmHg
  • Melting Point: 312 °C
  • Flash Point: 146.9ºC

7-aminocoumarin

7-Aminocoumarin is a pH-insensitive blue fluorophore. 7-Aminocoumarin is widely used as laser dyes in the blue-green region. 7-Aminocoumarin can be used to tag recombinant proteins on the cell surface and inside living cells through PRIME (probe incorporation mediated by enzymes). 7-Aminocoumarin can be visualized in acidic organelles such as endosomes[1][2].

  • CAS Number: 19063-57-1
  • MF: C9H7NO2
  • MW: 161.157
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 381.4±37.0 °C at 760 mmHg
  • Melting Point: 207-210°C (lit.)
  • Flash Point: 219.3±24.0 °C

(R)-ETHYL 2-((TERT-BUTOXYCARBONYL)AMINO)-3-HYDROXYPROPANOATE

(R)-Ethyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate is a serine derivative[1].

  • CAS Number: 1146954-88-2
  • MF: C10H19NO5
  • MW: 233.26200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

8-Azido-octanoyl-OSu

8-Azido-octanoyl-OSu is a click chemistry reagent containing an azide group. Used as a building block to introduce 8-azidooctanoic acid (CAS 217180-76-2) fragment. This fragment is used for further modifications using Click-chemistry (CuAAC), as a protected aminogroup or is used in physico-chemical investigations[1].

  • CAS Number: 2576471-56-0
  • MF: C12H18N4O4
  • MW: 282.30
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MrgprX2 antagonist-8

MrgprX2 antagonist-8 (example 5b) is a MrgprX2 antagonist. MrgprX2 antagonist-8 can be used for the research of inflammatory disorders[1].

  • CAS Number: 2768216-96-0
  • MF: C24H24ClF3N4O3S
  • MW: 540.99
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Thalidomide-4-O-C10-COOH

Thalidomide-4-O-C10-COOH is a E3 ligase ligand-linker conjugate that can be used in the synthesis of PROTACs.

  • CAS Number: 2379870-45-6
  • MF: C24H30N2O7
  • MW: 458.50
  • Catalog: E3 Ligase Ligand-Linker Conjugate
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-Pinoresinol monomethyl ether O-β-D-glucoside

(+)-Pinoresinol monomethyl ether O-β-D-glucoside (Compound 6) is a natural product that can be isolated from the stems of Tinospora sinensis[1].

  • CAS Number: 74957-57-6
  • MF: C27H34O11
  • MW: 534.55
  • Catalog: Others
  • Density: 1.361±0.06 g/cm3
  • Boiling Point: 730.4±60.0 °C
  • Melting Point: N/A
  • Flash Point: N/A

LY393615

LY393615 (NCC1048) is a novel neuronal Ca2+ (calcium channel) and Na + channel (sodium channel) blocker with IC50s of 1.9 μΜ and 5.2 μΜ for α1A and α1B calcium channel subunits. LY393615 has good brain penetration and neuroprotective effects in models of in cerebral ischemia that can be used for neurological disease research[1].

  • CAS Number: 325819-97-4
  • MF: C21H26ClF2NO
  • MW: 381.89
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A