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

Cephalotaxine,3-[4-methyl (2R)-2-hydroxy-2-(3-methylbutyl)butanedioate]

Deoxyharringtonine is an alkaloid isolated from Cephalotaxus genus with significant anti-leukemic activity[1].

  • CAS Number: 36804-95-2
  • MF: C28H37NO8
  • MW: 515.59500
  • Catalog: Cancer
  • Density: 1.3g/cm3
  • Boiling Point: 645.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 344.4ºC

HEX3

HEX3 is a fragment of the adenoviral hexon. Hexon is the major capsid protein of adenovirion and is comprised of three identical polypeptide chains.

  • CAS Number: 688805-40-5
  • MF: C47H78N12O14
  • MW: 454.06
  • Catalog: Peptides
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Neuronotoxicity-IN-1

Neuronotoxicity-IN-1, a pyridothiazine derivative, is a kainic acid neurotoxicity inhibitor. Neuronotoxicity-IN-1 is a neuroprotective agent[1].

  • CAS Number: 190843-45-9
  • MF: C17H15N3OS
  • MW: 309.39
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flavokawain 1i

Flavokawain 1i (DiNap) is an Hsp90 inhibitor. Flavokawain 1i (DiNap) has anti-cell proliferation activity and can be used in cancer research[1].

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

AXC-715 trihydrochloride

AXC-715 trihydrochloride is a TLR7/TLR8 dual agonist, extracted from patent WO2020168017 A1[1]. AXC-715 trihydrochloride, compound D from WO2020190734A1, can be used for synthesis of antibody-adjuvant immunoconjugates, comprising an antibody construct that binds programmed death-ligand 1 (PD-L1) linked to one or more adjuvants[2].

  • CAS Number: 2479276-17-8
  • MF: C18H28Cl3N5
  • MW: 420.81
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Riligustilide

Riligustilide (compound 2) is a kind of phthalide dimer. Riligustilide can be isolated from the radix of Angelica sinensis[1].

  • CAS Number: 89354-45-0
  • MF: C24H28O4
  • MW: 380.48
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 642.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 337.4±29.9 °C

(S,R,S)-AHPC-amido-C5-acid

(S,R,S)-AHPC-amido-C5-acid incorporates a VHL ligand for the E3 ubiquitin ligase, and a PROTAC linker. (S,R,S)-AHPC-amido-C5-acid can be used to design XY028-133 (HY-129180)[1].

  • CAS Number: 2162120-87-6
  • MF: C29H40N4O6S
  • MW: 572.72
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5'-O-TBDMS-dU

5'-O-TBDMS-dU can be used in the synthesis of oligoribonucleotides[1].

  • CAS Number: 76223-04-6
  • MF: C15H26N2O5Si
  • MW: 342.46300
  • Catalog: DNA/RNA Synthesis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-HT3-In-1

5-HT3-In-1 is extracted from patent EP0748807A1, compound example 8. It shows 5-HT3 inhibition activity.

  • CAS Number: 186348-68-5
  • MF: C16H21ClN4O3
  • MW: 352.82
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Methoxy-2-(2-phenylethyl)chromone

6-Methoxy-2-(2-phenylethyl)chromone (compound 9) is a 2-(2-phenylethyl)chromone (¼2-(2-phenylethyl)-4H-1-benzopyran-4- one) derivative[1].

  • CAS Number: 84294-89-3
  • MF: C18H16O3
  • MW: 280.32
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2,3-Pentanedione

2,3-Pentanedione is a common constituent of synthetic flavorings and is used to impart a butter, strawberry, caramel, fruit, rum, or cheese flavor in beverages, ice cream, candy, baked goods, gelatins, and puddings. 2,3-Pentanedione also occurs naturally as a fermentation product in beer, wine, and yogurt and is releasedduring roasting of coffee beans[1].

  • CAS Number: 600-14-6
  • MF: C5H8O2
  • MW: 100.116
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 108.0±0.0 °C at 760 mmHg
  • Melting Point: -52 °C
  • Flash Point: 18.9±0.0 °C

PF-4618433

PF-4618433 is a potent and selective PYK2 inhibitor, with an IC50 of 637 nM. PF-4618433 may be suitable for the research of osteoporosis, craniofacial and appendicular skeletal defects and for targeted bone regeneration[1][2].

  • CAS Number: 1166393-85-6
  • MF: C24H27N7O2
  • MW: 445.517
  • Catalog: Pyk2
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 587.6±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 309.2±30.1 °C

R-10015

R-10015, a broad-spectrum antiviral compound for HIV infection, acts as a potent and selective inhibitor of LIM domain kinase (LIMK) and binds to the ATP-binding pocket, with an IC50 of 38 nM for human LIMK1[1].

  • CAS Number: 2097938-51-5
  • MF: C20H19ClN6O2
  • MW: 410.86
  • Catalog: LIM Kinase (LIMK)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Flumatinib

Flumatinib is a multi-kinase inhibitor with IC50 Values of 1.2 nM, 307.6 nM and 2662 nM for c-Abl, PDGFRβ and c-Kit respectively.IC50 Value: 1.2 nM (c-Abl); 307.6 nM(PDGFRβ); 2662 nM (c-Kit) [1]Target: c-Abl; c-Kit; PDGRFβin vitro: HH-GV-678 can predominantly inhibit the autophosphorylation of Bcr-Abl in K562 cell. In higher concentration, HH-GV-678 can inhibit the phosphorylation of c-Kit in Mo7e cell and the phosphorylation of PDGFR in Swiss3T3 cell, however, HH-GV-678 has no or little effect on other tyrosine kinase including EGFR, KDR, c-Src and HER2 [1]. Flumatinib effectively overcame the drug resistance of certain KIT mutants with activation loop mutations (i.e., D820G, N822K, Y823D, and A829P) [2].in vivo: The purpose of this study was to identify the metabolites of flumatinib in CML patients, with the aim of determining the main metabolic pathways off lumatinib in humans after oral administration. Ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry revealed 34 metabolites; 7 primary metabolites were confirmed by comparison with synthetic reference standards. The results show that the parent drugflumatinib was the main form recovered in human plasma, urine, and feces. The main metabolites of flumatinib in humans were the products of N-demethylation, N-oxidation, hydroxylation, and amide hydrolysis [3].

  • CAS Number: 895519-90-1
  • MF: C29H29F3N8O
  • MW: 562.58900
  • Catalog: Bcr-Abl
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

VD3-D6

VD3-D6(Vitamin D3-26,26,26,27,27,27-d6) is the deuterated form of Vitamin D3; tools for determination of Vitamin D3 metabolites in human serum.

  • CAS Number: 118584-54-6
  • MF: C27H38D6O
  • MW: 390.67500
  • Catalog: VD/VDR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anti-neurodegeneration agent 1

Anti-neurodegeneration agent 1 a neurodegeneration-targeting compound extracted from patent WO2008039514A1, Compound I.

  • CAS Number: 289893-23-8
  • MF: C14H20ClN3O3
  • MW: 313.78
  • Catalog: Neurological Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Sulfametrole

Sulfametrole is an orally active and potent antibacterial. Sulfametrole can be used for infections research, such as HIV, severe pneumonia and UTIs (urinary tract infections)[1][2].

  • CAS Number: 32909-92-5
  • MF: C9H10N4O3S2
  • MW: 286.33
  • Catalog: Bacterial
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 496.0±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 253.8±31.5 °C

6-O-2-Propyn-1-yl-D-galactose

6-O-2-Propyn-1-yl-D-galactose is a glycolinker for the functionalization of cytotoxic drugs and applications in antibody-drug conjugation.

  • CAS Number: 881895-59-6
  • MF: C9H14O6
  • MW: 218.20
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Heliomicin

Heliomicin is an antimicrobial peptide from Heliothis Virescens[1].

  • CAS Number: 391977-03-0
  • MF: C201H303N61O64S6
  • MW: 4790.32
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’-Deoxy-2’-fluoro-5-methyl-4’-thio-β-D-arabino uridine

2’-Deoxy-2’-fluoro-5-methyl-4’-thio-β-D-arabino uridine 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: 135123-34-1
  • MF: C10H13FN2O4S
  • MW: 276.28
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fibrinogen-Binding Inhibitor Peptide

Fibrinogen Binding Inhibitor Peptide is a dodecapeptide (HHLGGAKQAGDV, H12), which is a fibrinogen γ-chain carboxy-terminal sequence (γ400-411). Fibrinogen Binding Inhibitor Peptide is a specific binding site of the ligand for activated glycoprotein (GP) IIb/IIIa.

  • CAS Number: 89105-94-2
  • MF: C50H80N18O16
  • MW: 1189.28000
  • Catalog: Peptides
  • Density: 1.342g/cm3
  • Boiling Point: 1809.886ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 1048.381ºC

Lonafarnib

Lonafarnib is an orally bioavailable farnesyl protein transferase (FPTase) inhibitor for H-ras, K-ras and N-ras with IC50 of 1.9 nM, 5.2 nM and 2.8 nM, respectively.

  • CAS Number: 193275-84-2
  • MF: C27H31Br2ClN4O2
  • MW: 638.822
  • Catalog: Autophagy
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 710.4±70.0 °C at 760 mmHg
  • Melting Point: 214.5-215.9° (monohydrate); mp 222-223°
  • Flash Point: 383.5±35.7 °C

Fmoc-NMe-PEG4-acid

Fmoc-NMe-PEG4-C2-acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2170240-98-7
  • MF: C27H35NO8
  • MW: 501.57
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

RO5028442

RO5028442 is a highly potent and selective Brain-Penetrant Vasopressin 1a (V1a) receptor antagonist with Kis of 1 nM (hV1a) and 39 nM (mV1a).

  • CAS Number: 920022-47-5
  • MF: C25H28ClN3O2
  • MW: 437.962
  • Catalog: Vasopressin Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 621.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 329.6±31.5 °C

Boc-Asp-OBzl

(S)-2-(tert-Butoxycarbonylamino)succinic acid benzyl ester is an aspartic acid derivative[1].

  • CAS Number: 30925-18-9
  • MF: C16H21NO6
  • MW: 323.341
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 504.3±50.0 °C at 760 mmHg
  • Melting Point: 95-97°C
  • Flash Point: 258.8±30.1 °C

Melredableukin alfa

Melredableukin alfa (RO-7049665) is a fusion protein that consists of a human IgG1-κ fused to a mutated human interleukin 2 (IL2 mutein) via a peptide linker. Melredableukin alfa can be used for the research of autoimmune hepatitis and ulcerative colitis[1].

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

PM-81I

PM-81I is a potent STAT6 inhibitor (targeting the SH2 structural domain) that effectively reduces STAT6 phosphorylation levels. PM-81I can be used in studies of allergic lung disease, allergic rhinitis, chronic obstructive pulmonary disease or cancer[1].

  • CAS Number: 1637532-83-2
  • MF: C43H58F2N3O10P
  • MW: 845.91
  • Catalog: STAT
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quinidine hydrochloride monohydrate

Quinidine hydrochloride monohydrate is a clinical anti-arrythmic drug which is also a potent blocker of K+ channel with an IC50 of 19.9 μM.

  • CAS Number: 6151-40-2
  • MF: C20H27ClN2O3
  • MW: 378.89300
  • Catalog: Potassium Channel
  • Density: N/A
  • Boiling Point: 495.9ºC at 760 mmHg
  • Melting Point: 258-259ºC
  • Flash Point: 253.7ºC

t-Butoxycarbonyl-PEG4-NHS ester

Boc-PEG4-C2-NHS ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1835759-75-5
  • MF: C20H33NO10
  • MW: 447.48
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Derazantinib dihydrochloride

Derazantinib (ARQ-087) dihydrochloride is an ATP competitive and orally activeFGFR inhibitor (IC50s: 1.8 nM for FGFR2, 4.5 nM for FGFR1 and 3). Derazantinib dihydrochloride inhibits FGFR phosphorylation. Derazantinib dihydrochloride inhibits tumor growth in multiple xenograft models[1][2].

  • CAS Number: 1821329-75-2
  • MF: C29H31Cl2FN4O
  • MW: 541.487
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A