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

Azoxymethane

Azoxymethane is a colon carcinogen which leads to the formation of DNA adducts.

  • CAS Number: 25843-45-2
  • MF: C2H6N2O
  • MW: 74.08180
  • Catalog: Cancer
  • Density: 0.98g/cm3
  • Boiling Point: 92ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 9.4ºC

N-(2-Hydroxyphenyl)picolinamide

N-(2-Hydroxyphenyl)picolinamide is an active molecule.

  • CAS Number: 88530-99-8
  • MF: C12H10N2O2
  • MW: 214.22000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Carbocisteine

Carbocisteine, a mucolytic agent, can be used for the research of chronic obstructive pulmonary disease (COPD)[1].

  • CAS Number: 638-23-3
  • MF: C5H9NO4S
  • MW: 179.194
  • Catalog: Infection
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 417.3±45.0 °C at 760 mmHg
  • Melting Point: 208-213 °C (dec.)
  • Flash Point: 206.2±28.7 °C

Thalifoline

Thalifoline is an alkaloid isolated from the New Caledonian plant Cryptocarya longifolia[1] and displays antifungal activity[2].

  • CAS Number: 21796-15-6
  • MF: C11H13NO3
  • MW: 207.22600
  • Catalog: Fungal
  • Density: 1.246g/cm3
  • Boiling Point: 432.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 215.1ºC

N-Cycloheptyl-2-[(1-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]-2-phenylacetamide

Apostatin-1 (Apt-1) is a potent TRADD inhibitor. Apostatin-1 can bind with TRADD-N (KD=2.17 μM), disrupting its binding to both TRADD-C and TRAF2. Apostatin-1 modulates the ubiquitination of RIPK1 and beclin 1. Apostatin-1 blocks apoptosis and restores cellular homeostasis by activating autophagy in cells with accumulated mutant tau, α-synuclein, or huntingtin[1].

  • CAS Number: 2559703-06-7
  • MF: C19H27N3OS
  • MW: 345.502
  • Catalog: Apoptosis
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Zika virus-IN-2

Zika virus-IN-2 (Compd 3) is a Zika virus inhibitor, with an EC50 of 7.4 μM [1].

  • CAS Number: 2527912-53-2
  • MF: C24H23N3O3
  • MW: 401.46
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cbz-Lys(Fmoc)-OH

N6-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N2-((benzyloxy)carbonyl)-L-lysine is a lysine derivative[1].

  • CAS Number: 105751-18-6
  • MF: C29H30N2O6
  • MW: 502.55800
  • Catalog: Others
  • Density: 1.2418 (rough estimate)
  • Boiling Point: 751.2ºC at 760 mmHg
  • Melting Point: 101ºC
  • Flash Point: 408.1ºC

SDZ 224-015

SDZ 224-015 is an orally active inhibitor of the interleukin-1 beta (IL-1β) converting enzyme and caspase-1. SDZ 224-015 possesses anti-COVID-19 activity, targeting Mpro (IC50 of 30 nM)[1][2].

  • CAS Number: 161511-45-1
  • MF: C30H35Cl2N3O9
  • MW: 652.52
  • Catalog: SARS-CoV
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BVT 2733

BVT 2733 is a new, small molecule, non-steroidal, isoform-selective inhibitor of 11beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1).IC50 value:Target: 11β-HSD1 inhibitorin vitro: in vivo: BVT 2733 lowered hepatic PEPCK and glucose-6-phosphatase mRNA, blood glucose and serum insulin concentrations compared with vehicle treated mice [1]. CIA mice were treated with BVT-2733 (100 mg/kg, orally) or vehicle twice daily for 2 weeks. BVT-2733 treatment attenuated the arthritis severity and anti-CII level in CIA mice. BVT-2733 also decreased the levels of serum TNF-α, IL-1β, IL-6 and IL-17. BVT-2733 treatment also significantly reduced synovial inflammation and joint destruction [2]. Mice receiving BVT 2733 treatment exhibited decreased body weight and enhanced glucose tolerance and insulin sensitivity compared to control mice. BVT 2733 also down-regulated the expression of inflammation-related genes including monocyte chemoattractant protein 1 (MCP-1), tumor necrosis factor alpha (TNF-α) and the number of infiltrated macrophages within the adipose tissue in vivo [3].

  • CAS Number: 376640-41-4
  • MF: C17H21ClN4O3S2
  • MW: 428.95700
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Myricetin

Myricetin is a common plant-derived flavonoid with a wide range of activities including strong anti-oxidant, anticancer, antidiabetic and anti-inflammatory activities.

  • CAS Number: 529-44-2
  • MF: C15H10O8
  • MW: 318.235
  • Catalog: Apoptosis
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 747.6±60.0 °C at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: 285.9±26.4 °C

tectoridin

Tectoridin is a isoflavone isolated from Maackia amurensis. Tectoridin is a phytoestrogen and activates estrogen and thyroid hormone receptors. Tectoridin exerts the estrogenic effects via ER-dependent genomic pathway and GPR30-dependent nongenomic pathway[1][2].

  • CAS Number: 611-40-5
  • MF: C22H22O11
  • MW: 462.404
  • Catalog: Cancer
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 798.1±60.0 °C at 760 mmHg
  • Melting Point: 261.8-263.2ºC
  • Flash Point: 279.7±26.4 °C

desacetylnimbin

Deacetylnimbin is a limonoid isolated from Azadirachta indica. Deacetylnimbin can be used as a plant metabolite, a food repellent and as a growth regulator for insects such as S. litura, P. ricini and O. fscovittata[1].

  • CAS Number: 18609-16-0
  • MF: C28H34O8
  • MW: 498.565
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 603.6±55.0 °C at 760 mmHg
  • Melting Point: 204-206°C
  • Flash Point: 318.8±31.5 °C

4-Chlorosalicylic acid

4-Chlorosalicylic acid is a pharmaceutical intermediate. Inhibits monophenolase and diphenolase activity with IC50s of 1.89 mM and 1.10 mM. Potent antimicrobial activity. Against E. coli with the MIC of 250 μg/mL and with the MBC of 500 μg/mL.

  • CAS Number: 5106-98-9
  • MF: C7H5ClO3
  • MW: 172.566
  • Catalog: Bacterial
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 321.1±27.0 °C at 760 mmHg
  • Melting Point: 210-212 °C(lit.)
  • Flash Point: 148.0±23.7 °C

Rebamipide D4

Rebamipide D4 (OPC12759 D4) is deuterium labeled Rebamipide. Rebamipide is a mucoprotective agent. Rebamipide induces COX-2 expression, increases PGE2 levels, and enhances gastric mucosal defense in a COX-2-dependent manner[1].

  • CAS Number: 1219409-06-9
  • MF: C19H11D4ClN2O4
  • MW: 370.7864
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 290-294°C (dec.)
  • Flash Point: N/A

N-[4-(2-Methoxyphenoxy)phenylsulfonyl]glycine

((4-(2-Methoxyphenoxy)phenyl)sulfonyl)glycine is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 606944-93-8
  • MF: C15H15NO6S
  • MW: 337.34800
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

19,20-(E)-Vallesamine

19,20-(E)-Vallesamine is an indole alkaloid compound isolated from the stems of Ervatamia yunnanensis[1].

  • CAS Number: 3368-87-4
  • MF: C20H24N2O3
  • MW: 340.416
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 472.3±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 239.5±28.7 °C

Tecarfarin

Tecarfarin (ATI-5923) is an orally active and non-competitive vitamin K epoxide reductase (VKOR) antagonist, and impairs the activation of the vitamin K-dependent clotting factors II, VII, IX and X[1]. Tecarfarin has the antithrombotic activity [2].

  • CAS Number: 867257-26-9
  • MF: C21H14F6O5
  • MW: 460.32300
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Fmoc-Lys(Boc)-OH

Fmoc-L-Lys (Boc)-OH is a lysine derivative[1].

  • CAS Number: 71989-26-9
  • MF: C26H32N2O6
  • MW: 468.542
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 685.7±55.0 °C at 760 mmHg
  • Melting Point: 130-135 °C (dec.)
  • Flash Point: 368.5±31.5 °C

Poc-Cystamine

Poc-Cystamine (compound PPA-cyst) is a click chemistry reagent, a cystamine building block derived from a propynyl group[1].

  • CAS Number: 1266354-28-2
  • MF: C8H14N2O2S2
  • MW: 234.34
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MEFLOQUINE

Mefloquine (Mefloquin), an orally active and potent quinoline antimalarial agent, is an anti-SARS-CoV-2 entry inhibitor. Mefloquine is also a K+ channel (KvQT1/minK) antagonist with an IC50 of ~1 μM. Mefloquine can be used for malaria, systemic lupus erythematosus and cancer research[1][2][3].

  • CAS Number: 53230-10-7
  • MF: C17H16F6N2O
  • MW: 378.31200
  • Catalog: SARS-CoV
  • Density: 1.383g/cm3
  • Boiling Point: 415.7ºC at 760mmHg
  • Melting Point: 242-244ºC
  • Flash Point: 205.2ºC

COX-2-IN-34

COX-2-IN-34 (compound 8a) is a selective and orally active inhibitor of COX-2 , with an IC50 of 0.42 μM. COX-2-IN-34 has no gastric ulcer toxicity but has anti-inflammatory effects[1].

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

Actinomycin D

Actinomycin D inhibits DNA repair with an IC50 of 0.42 μM.

  • CAS Number: 50-76-0
  • MF: C62H86N12O16
  • MW: 1255.417
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 1386.0±65.0 °C at 760 mmHg
  • Melting Point: 251-253 °C
  • Flash Point: 792.1±34.3 °C

Caffeoyl alcohol

Caffeoyl alcohol is a monomer constituting Catechyl lignin. Catechyl lignin is a linear homopolymer of caffeyl alcohol, a natural source of carbon fiber and high-value chemicals[1][2].

  • CAS Number: 3598-26-3
  • MF: C9H10O3
  • MW: 166.17400
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 132°C (lit.)
  • Flash Point: N/A

Cephalomannine

Cephalomannine is a taxol derivative with antitumor, antiproliferative properties. IC50 value:Target: Cephalomannine is an active anti-cancer agent obtained from Taxus yunnanensis and has an antineoplastic effect on tumors found in mice. Cephalomannine is a chemotherapy drug that is given as a treatment for some types of cancer. Cephalomannine is most commonly used to treat non-small cell lung cancer.

  • CAS Number: 71610-00-9
  • MF: C45H53NO14
  • MW: 831.901
  • Catalog: Microtubule/Tubulin
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 929.5±65.0 °C at 760 mmHg
  • Melting Point: 139-141ºC
  • Flash Point: 516.0±34.3 °C

1,2-Bis[(2H3)methyloxy](2H4)benzene

1,2-Dimethoxybenzene-d10 is the deuterium labeled 1,2-Dimethoxybenzene[1]. 1,2-Dimethoxybenzene is an naturally occurring insect attractant[2].

  • CAS Number: 362049-43-2
  • MF: C8D10O2
  • MW: 148.225
  • Catalog: Others
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 206.3±8.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 87.2±0.0 °C

FXIa-IN-1

FXIa-IN-1 (compound EP-7041) is a potent β-lactam covalent heparin-derived factor XIa (fXIa) inhibitor[1].

  • CAS Number: 1803271-50-2
  • MF: C20H19F3N4O5
  • MW: 452.38
  • Catalog: Factor Xa
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LYN-1604 dihydrochloride

LYN-1604 dihydrochloride is a potent UNC-51-like kinase 1 (ULK1) activator (EC50=18.94 nM) for the research of triple negative breast cancer (TNBC)[1].

  • CAS Number: 2310109-38-5
  • MF: C33H45Cl4N3O2
  • MW: 657.54
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dichotomine B

Dichotomine B, a β-Carboline alkaloid, attenuates neuroinflammatory responses in LPS/ATP-induced BV2 microglia[1].

  • CAS Number: 755036-41-0
  • MF: C14H12N2O4
  • MW: 272.26
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

7-Deaza-2'-deoxy-7-iodoadenosine

(2S,3R,5S)-7-Deaza-2'-deoxy-7-iodoadenosine is the inactive isomer of 7-Deaza-2'-deoxy-7-iodoadenosine (HY-W048490), and can be used as an experimental control. 7-Deaza-2'-deoxy-7-iodoadenosine is a modified oligonucleotide containing 7-Deazaadenine[1].

  • CAS Number: 908130-61-0
  • MF: C11H13IN4O3
  • MW: 376.15
  • Catalog: Others
  • Density: 2.4±0.1 g/cm3
  • Boiling Point: 657.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 351.4±31.5 °C

2,4(1H,3H)-Pyrimidinedione,1-b-D-arabinofuranosyldihydro-

5,6-Dihydro-ara-uridine 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: 30100-83-5
  • MF: C9H14N2O6
  • MW: 246.22
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 1.614g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A