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

PTP1B-IN-8

PTP1B-IN-8 is a potent and selective potent protein tyrosine phosphatase-1B (PTP1B) inhibitor extracted from patent CN103626692A, example 1[1].

  • CAS Number: 919091-61-5
  • MF: C19H13Cl4NO
  • MW: 413.12
  • Catalog: Phosphatase
  • Density: 1.463±0.06 g/cm3(Predicted)
  • Boiling Point: 607.5±55.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

GSK3036656

GSK3036656 (GSK070) is a potent, selective and orally active inhibitor of M. tuberculosis leucyl-tRNA synthetase, with an IC50 of 0.20 μM. GSK3036656 can be used for the research of tuberculosis[1].

  • CAS Number: 2131798-12-2
  • MF: C10H13BClNO4
  • MW: 257.48
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tuberculosis inhibitor 7

Tuberculosis inhibitor 7 (compound 2d) is a 3-methoxy-2-phenylimidazo[1,2-b]pyridazine derivative that shows highly active against Mycobacterium tuberculosis (MIC90 of 0.63 μM) and Mycobacterium marinum (MIC90 of 0.63 μM)[1].

  • CAS Number: 121041-20-1
  • MF: C21H18FN3O2S
  • MW: 395.45
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FC-11

FC-11 is a PROTAC FAK degrader (DC90: 1 nM) . FC-11 contains CRBN ligand Pomalidomide (HY-10984), linker and FAK ligand PF562271 (HY-10459). FC-11 degrades FAK in various cells, with DC50s of 310 pM in TM3, 80 pM in PA1, 330 pM in MDA-MB-436, 370 pM in LNCaP, and 40 pM in Ramos cells[1].

  • CAS Number: 2271035-37-9
  • MF: C41H42F3N13O9S
  • MW: 949.91
  • Catalog: PROTAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N2-ibu-2'-OMe-rG

N2-Isobutyryl-2'-O-methylguanosine (N2-IBU-2'-OME-RG) 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: 63264-29-9
  • MF: C15H21N5O6
  • MW: 367.36
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.68±0.1 g/cm3(Predicted)
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

kievitone

Kievitone, an isoflavanone, could be isolated from hypocotyls of Phaseolus vulgaris L. infected with Rhizoctonia solani Kühn. Kievitone has antifungal activity and antitumor activity[1][2].

  • CAS Number: 40105-60-0
  • MF: C20H20O6
  • MW: 356.36900
  • Catalog: Fungal
  • Density: 1.384g/cm3
  • Boiling Point: 639.6ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 231.4ºC

Aurora Kinases-IN-3

Aurora Kinases-IN-3 (Compound 15a) is an orally active AURKB inhibitor that elicits an AURKB-suppressive activity by disrupting the mitotic localization of AURKB, rather than inhibiting its phosphorylation of H3 at Ser10[1].

  • CAS Number: 2840558-83-8
  • MF: C20H16F3N3O4
  • MW: 419.35
  • Catalog: Aurora Kinase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tofacitinib (CP-690550)

Tofacitinib is a JAK1/2/3 inhibitor with IC50s of 1, 20, and 112 nM, respectively.

  • CAS Number: 477600-75-2
  • MF: C16H20N6O
  • MW: 312.370
  • Catalog: JAK
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 585.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 308.1±30.1 °C

Semagacestat(LY450139)

Semagacestat is a γ-secretase inhibitor, inhibits β-amyloid (Aβ42), Aβ38 and Aβ40 with IC50 of 10.9, 12 and 12.1 nM, respectively; also inhibits Notch signaling with IC50 of 14.1 nM.

  • CAS Number: 425386-60-3
  • MF: C19H27N3O4
  • MW: 361.435
  • Catalog: Amyloid-β
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 681.9±55.0 °C at 760 mmHg
  • Melting Point: 208-212°C
  • Flash Point: 366.2±31.5 °C

3,5-Dimethoxyphenol

3,5-Dimethoxyphenol is a toxin metabolite, found in human consuming yew leaves[1].

  • CAS Number: 500-99-2
  • MF: C8H10O3
  • MW: 154.163
  • Catalog: Metabolic Disease
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 294.1±20.0 °C at 760 mmHg
  • Melting Point: 40-43 °C(lit.)
  • Flash Point: 78.3±0.0 °C

Epirizole

Epirizole (Mepirizole) is an orally active NSAID (nonsteroidal anti-inflammatory drug). Epirizole shows anti-inflammatory activity, and can be used in chronic rheumatoid arthritis research[1].

  • CAS Number: 18694-40-1
  • MF: C11H14N4O2
  • MW: 234.25400
  • Catalog: Inflammation/Immunology
  • Density: 1.25g/cm3
  • Boiling Point: 444ºC at 760mmHg
  • Melting Point: 90 - 92ºC
  • Flash Point: 222.3ºC

GNE-781

GNE-781 is a highly potent and selective CBP inhibitor with an IC50 of 0.94 nM in TR-FRET assay. GNE-781 also inhibits BRET and BRD4(1) with IC50s of 6.2 nM and 5100 nΜ, respectively.

  • CAS Number: 1936422-33-1
  • MF: C27H33F2N7O2
  • MW: 525.59
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Azide-SS-biotin

Azide-C2-SS-C2-biotin is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 1620523-64-9
  • MF: C14H24N6O2S3
  • MW: 404.57
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fulimetibant

Fulimetibant is a bradykinin receptor antagonist[1].

  • CAS Number: 2231142-90-6
  • MF: C25H21F4N3O3
  • MW: 487.45
  • Catalog: Bradykinin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Delphinidin-3,5-O-diglucoside chloride

Delphinidin 3,5-diglucoside is an anthocyanin, and can be isolated from Punica granatum[1].

  • CAS Number: 17670-06-3
  • MF: C27H31ClO17
  • MW: 662.97800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-A-AMINOXY-B-PHENYLPROPIONIC ACID, HYDROBROMIDE

L-2-Aminooxy-3-phenylpropanoic acid hydrobromide is a potent inhibitor of L-phenylalanine ammonia-lyase[1].

  • CAS Number: 73086-97-2
  • MF: C9H12BrNO3
  • MW: 262.10000
  • Catalog: Metabolic Disease
  • Density: 1.249 g/cm3
  • Boiling Point: 397.7ºC at 760 mmHg
  • Melting Point: 165-167ºC
  • Flash Point: 194.3ºC

Lynamicin B

Lynamicin B is a potential pesticide by acting as a lepidoptera-exclusive chitinase inhibitor with a Ki value of 8.76 μM.

  • CAS Number: 861149-19-1
  • MF: C22H14Cl3N3O2
  • MW: 458.72
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMK1

MMK1 is a potent and selective human formyl peptide receptor like-1 (FPRL-1/FPR2) agonist with EC50s of <2 nM and >10000 nM for FPRL-1 and FPR1, respectively. MMK1 is a potent chemotactic and calcium-mobilizing agonist. MMK-1 potently activated phagocytic leukocytes and could enhance Pertussis Toxin (HY-112779)-sensitive production by human monocytes of proinflammatory cytokines IL-1b and IL-6. MMK1 exerts anxiolytic-like activity[1][2][3][4].

  • CAS Number: 271246-66-3
  • MF: C75H123N19O18S
  • MW: 1610.96000
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pamidronate disodium pentahydrate

Pamidronate disodium pentahydrate is a nitrogen-containing bisphosphonate, used to prevent osteoporosis.

  • CAS Number: 109552-15-0
  • MF: C3H9NNa2O7P2
  • MW: 279.03
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 658.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 352.2ºC

Aloin

Aloin (mixture of A&B) is anthraquinone derivative isolated from Aloe vera. Aloin (mixture of A&B) has diverse biological activities such as anti-inflammatory, immunity, antidiabetic, antioxidant, antibacterial, antifungal, and antitumor activities. Aloin (mixture of A&B) also an effective inhibitor of stimulated granulocyte matrix metalloproteinases (MMPs)[1][2].

  • CAS Number: 8015-61-0
  • MF: C21H22O9
  • MW: 418.394
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 752.6±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 268.0±26.4 °C

GNE-272

GNE-272 is a potent and selective in vivo probe for the bromodomains of CBP/EP300 with IC50 values of 0.02, 0.03 and 13 μM for CBP, EP300 and BRD4, respectively.

  • CAS Number: 1936428-93-1
  • MF: C22H25FN6O2
  • MW: 424.47
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Morin 3-O-β-D-glucopyranoside

Morin 3-O-β-D-glucopyranoside is a natural flavonoid with antifungal, anticancer and antioxidant activities. Morin 3-O-β-D-glucopyranoside inhibits reverse transcriptase, protein-tyrosine kinase and xanthine oxidase, and also shows anti-HIV, antiarteriosclerotic, and superoxide scavenging activities[1].

  • Density: 1.87±0.1 g/cm3
  • Boiling Point: 875.2±65.0 °C
  • Melting Point: N/A
  • Flash Point: N/A

Hexaethylene glycol phosphoramidite

Hexaethylene glycol phosphoramidite (Spacer Phosphoramidite 18) is an amidite reagent for oligonucleotide synthesis. Hexaethylene glycol phosphoramidite can be used as a linker in synthesis of nucleotide chain and qPCR probes[1][2].

  • CAS Number: 125607-09-2
  • MF: C42H61N2O10P
  • MW: 784.91500
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Hydroxyphenyl D-glucopyranoside

Pyrocatechol monoglucoside is a phenolic glycoside that can be isolated from Itoa orientalis[1].

  • CAS Number: 2400-71-7
  • MF: C12H16O7
  • MW: 272.25
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 533.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 276.6±30.1 °C

Trimebutine-d5

Trimebutine-d5 is the deuterium labeled Trimebutine. Trimebutine is a drug with antimuscarinic and weak mu opioid agonist effects[1][2].

  • CAS Number: 1189928-38-8
  • MF: C22H24D5NO5
  • MW: 392.50000
  • Catalog: Opioid Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

TM5441

TM5441 is a plasminogen activator inhibitor-1 (PAI-1); inhibits several tumor cell lines with IC50 values between 9.7 and 60.3 μM.

  • CAS Number: 1190221-43-2
  • MF: C21H17ClN2O6
  • MW: 428.829
  • Catalog: PAI-1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

tolmetin sodium

Tolmetin sodium is an orally active and potent COX inhibitor with IC50s of 0.35 µM and 0.82 µM human COX-1 and COX-2, respectively. Tolmetin sodium is a non-steroidal anti-inflammatory drug (NSAID)[1][2].

  • CAS Number: 35711-34-3
  • MF: C15H14NNaO3
  • MW: 279.26600
  • Catalog: COX
  • Density: 1.18g/cm3
  • Boiling Point: 483.2ºC at 760 mmHg
  • Melting Point: 155-157ºC (DECOMPOSES)
  • Flash Point: 246ºC

u-Conotoxin GIIIB

μ-Conotoxin GIIIB is a 22-residue polypeptide that can be isolated from the venom of piscivorous cone snail Conus geographus. μ-Conotoxin GIIIB is a NaV1.4 channel inhibitor. μ-Conotoxin GIIIB blocks muscle cell's contraction[1][2][3].

  • CAS Number: 140678-12-2
  • MF: C101H175N39O30S7
  • MW: 2640.17
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,2-Dihydrotanshinquinone

1,2-Dihydrotanshinone (1,2-Dihydrotanshinquinone) is an abietane diterpene. 1,2-Dihydrotanshinone inhibits the formation of the pathogenic complex formed between (CUG)n-RNA and the splicing-factor muscleblind-like 1 (MBNL1). 1,2-Dihydrotanshinone can be used for the research of myotonic dystrophy type 1[1][2].

  • CAS Number: 77769-21-2
  • MF: C18H14O3
  • MW: 278.302
  • Catalog: Inflammation/Immunology
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 495.6±44.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 244.6±21.1 °C

(2R)-Pinocembrin

(-)-Pinocembrin exhibits anti-mycobacterium activity against mycobacteriuum tuberculosis H37Ra with an IC50 value of 1.11 mg/mL in dormant phase and 1.21 mg/mL in active phase, respectively. (-)-Pinocembrin has potent antiproliferative activity with IC50 values of 1.88-11.00 mg/mL against THP-1, A549, Panc-1, HeLa and MCF7 cell lines[1].

  • CAS Number: 206660-42-6
  • MF: C15H12O4
  • MW: 256.25300
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A