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

TBCA

TBCA is a highly selective CK2 (casein kinase II) inhibitor with an IC50 of 110 nM and a Ki of 77 nM. TBCA shows selectivity for CK2 over CK1, DYRK1A and a panel of 27 other kinases[1][2].

  • CAS Number: 934358-00-6
  • MF: C9H4Br4O2
  • MW: 463.743
  • Catalog: Casein Kinase
  • Density: 2.4±0.1 g/cm3
  • Boiling Point: 490.8±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 250.6±28.7 °C

Desmethyl cariprazine

Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic drug candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].

  • CAS Number: 839712-15-1
  • MF: C20H30Cl2N4O
  • MW: 413.38
  • Catalog: 5-HT Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Butylfluorescein

N-Butylfluorescein is an alkyl-substituted fluorescein, can be used for synthesis of fluorogenic substrates for assaying phosphatidylinositol-specific phospholipase C[1].

  • CAS Number: 335193-91-4
  • MF: C24H20O5
  • MW: 388.41300
  • Catalog: Others
  • Density: 1.38g/cm3
  • Boiling Point: 603.7ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 212.9ºC

CALP2 TFA

CALP2 is a calmodulin (CaM) antagonist ( (Kd of 7.9 µM)) with high affinity for binding to the CaM EF-hand/Ca2+-binding site. CALP2 inhibits CaM-dependent phosphodiesterase activity and increases intracellular Ca2+ concentrations. CALP2 potently inhibits of adhesion and degranulation. CALP2 is also a strong activator of alveolar macrophages[1][2][3][4].

  • CAS Number: 261969-04-4
  • MF: C68H104N14O13S
  • MW: 1357.70000
  • Catalog: Calcium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

4-Chlorocatechol

4-Chlorocatechol is a major degradation product of 4-chloro-2-aminophenol (4C2AP). 4-Chlorocatechol is also a substrate for catechol 1,2-dioxygenases and chlorocatechol dioxygenase[1][2].

  • CAS Number: 2138-22-9
  • MF: C6H5ClO2
  • MW: 144.556
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 267.1±20.0 °C at 760 mmHg
  • Melting Point: 90-94 °C(lit.)
  • Flash Point: 115.3±21.8 °C

4-Amidinophenylmethanesulfonyl fluoride hydrochloride

p-APMSF is an irreversible inhibitor of serinase. p-APMSFhas substrate specificity for positively charged side chains of amino acids,lysine, or arginine. p-APMSF can be used to study the irreversible inhibitionof trypsin and thrombin [1].

  • CAS Number: 74938-88-8
  • MF: C8H10ClFN2O2S
  • MW: 252.69
  • Catalog: Others
  • Density: N/A
  • Boiling Point: 405.2ºC at 760 mmHg
  • Melting Point: ~205 °C (dec.)
  • Flash Point: 198.8ºC

ATR-IN-19

ATR-IN-19 (Compound 15 R-configure) is an ATR inhibitor[1].

  • CAS Number: 2648989-61-9
  • MF: C18H19N7OS
  • MW: 381.45
  • Catalog: ATM/ATR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-(4-Morpholinylmethyl-d2)-3-[[(5-nitro-2-furanyl)methylene]amino]-2-oxazolidinone-4,4,5-d3

Furaltadone-d5 is the deuterium labeled DL-Cystathionine[1].

  • CAS Number: 1015855-64-7
  • MF: C13H11D5N4O6
  • MW: 329.32
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Saccharothrixin K

Saccharothrixin K, a glycosylated saccharothrixin, shows moderate inhibition against Helicobacter pylori G27, H. pylori 159, and Staphylococcus aureus ATCC25923 with MIC values of 16 μg/mL[1].

  • CAS Number: 1808951-87-2
  • MF: C26H26O8
  • MW: 466.48
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EZH2-IN-6

EZH2-IN-6 is an EZH2 inhibitor with enhanced antitumor activity.

  • CAS Number: 2702269-27-8
  • MF: C31H41N5O3S
  • MW: 563.75
  • Catalog: Histone Methyltransferase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Anthirrinoside

Procumbide (compound 11) is a flavone glucoside. Procumbide can be isolated from Andrographis paniculata[1].

  • CAS Number: 20486-27-5
  • MF: C15H22O10
  • MW: 362.33
  • Catalog: Others
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 648.3±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 345.9±31.5 °C

Azide-C2-Azide

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

  • CAS Number: 629-13-0
  • MF: C2H4N6
  • MW: 112.09300
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

h-d-gla-oh

γ-Carboxy-D-glutamic acid is a glutamic acid derivative[1].

  • CAS Number: 64153-47-5
  • MF: C6H9NO6
  • MW: 191.13900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Erioside

Erioside is found in Lasiosiphon eriocephalus[1].

  • CAS Number: 75872-12-7
  • MF: C15H16O10
  • MW: 356.28
  • Catalog: Others
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 745.0±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 278.8±26.4 °C

S.pombe lumazine synthase-IN-1

S.pombe lumazine synthase-IN-1 is an inhibitor of lumazine synthases with Ki values of 243 μM and 9.6 μM for Schizosaccharomyces pombe and Mycobacterium tuberculosis lumazine synthases, respectively[1].

  • CAS Number: 331726-35-3
  • MF: C14H13N3O6
  • MW: 319.27
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrowithaferin A

Dihydrowithaferin A (2, 3-dihydrowithaferin A) is a withanolide isolated from Withania somnifera. Dihydrowithaferin A is active against acetylcholinesterase (AChE)[1].

  • CAS Number: 5589-41-3
  • MF: C28H40O6
  • MW: 472.61400
  • Catalog: AChE
  • Density: 1.26g/cm3
  • Boiling Point: 667ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 220.7ºC

PPm

PPm, a derivative of penthiopyrad and hapten, is a representative member of the succinate dehydrogenase inhibitors group of fungicides[1].

  • CAS Number: 2101951-47-5
  • MF: C17H20F3N3O3S
  • MW: 403.42
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nav1.8-IN-2

Nav1.8-IN-2 (compound 35A) is a potent Nav1.8 inhibitor with an IC50 value of 0.4 nM. Nav1.8-IN-2 can be used for researching pain disorders, cough disorders, and acute and chronic itch disorders[1].

  • CAS Number: 2756250-30-1
  • MF: C18H13Cl2F3N2O3
  • MW: 433.21
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IDO-IN-2

IDO-IN-2 is an IDO inhibitor extracted from patent WO/2015031295 A1, compound example 1, has IC50 values of 0.068 μM in HeLa cell and 0.16 μM in HEK293 cell.

  • CAS Number: 1668565-74-9
  • MF: C29H35N7O
  • MW: 497.63
  • Catalog: Indoleamine 2,3-Dioxygenase (IDO)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Benzyloxycarbonyl-L-proline tert-butyl ester

N-Carbobenzoxy-L-proline tert-Butyl Ester is a proline derivative[1].

  • CAS Number: 16881-39-3
  • MF: C17H23NO4
  • MW: 305.369
  • Catalog: Others
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 404.8±45.0 °C at 760 mmHg
  • Melting Point: 45ºC
  • Flash Point: 198.6±28.7 °C

N-(2H3)Methylacetamide

N-Methylacetamide-d3 is the deuterium labeled N-Methylacetamide[1].

  • CAS Number: 3669-71-4
  • MF: C3H4D3NO
  • MW: 76.112
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 206.0±0.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 108.3±0.0 °C

BO3482

BO3482 has Antimicrobial activity and can inhibit the growth of methicillin-resistant Staphylococci (MRS) with an MIC90 of 6.25 mg/mL.

  • CAS Number: 198013-53-5
  • MF: C14H20N2NaO5S2
  • MW: 383.44
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

16:1 SM (d18:1/16:1)-d9

16:1 SM (d18:1/16:1)-d9 is deuterium labeled 16:1 SM (d18:1/16:1).

  • CAS Number: 2342574-45-0
  • MF: C39H68D9N2O6P
  • MW: 710.07
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pseudobatigenin-7-O-β-D-xylopyranosyl(1→6)-β-D-glucopyranosid

7-O-Primverosylpseudobaptigenin is a natural product that can be isolated from the alcoholic extract of the roots of the Amur maackia[1].

  • CAS Number: 224957-15-7
  • MF: C27H28O14
  • MW: 576.50
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-Bromo-6-methoxynaphthalene

2-Bromo-6-methoxynaphthalene is an active intermediate in the production of anti-inflammatory agents like Naproxen and Nabumetone by Heck reaction. 2-Bromo-6-methoxynaphthalene has potential anti-inflammatory properties and Tyrosine-protein inhibitor properties. 2-Bromo-6-methoxynaphthalene can be used for the research of cancer[1].

  • CAS Number: 5111-65-9
  • MF: C11H9BrO
  • MW: 237.093
  • Catalog: Trk Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 324.7±15.0 °C at 760 mmHg
  • Melting Point: 106-109 °C(lit.)
  • Flash Point: 134.7±6.4 °C

ARN14988

ARN14988 is a potent inhibitor of acid ceramidase (ACDase) (IC50=12.8 nM for the human enzyme)[1].

  • CAS Number: 1502027-70-4
  • MF: C16H24ClN3O5
  • MW: 373.832
  • Catalog: Cancer
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Indigo

Indigo is a deep and rich color dye for indole stain, isolated from the plant Indigofera tinctoria and related species[1].

  • CAS Number: 482-89-3
  • MF: C16H10N2O2
  • MW: 262.26
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 400.4±45.0 °C at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: 158.2±28.9 °C

Maslimomab

Maslimomab is a murine monoclonal antibody targeting T-cell receptor. Maslimomab is an immunosuppressive agent[1].

  • CAS Number: 127757-92-0
  • MF:
  • MW:
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

ABT-107

ABT-107 is a potent and selective α7 nAChR agonist with Ki of 0.2-0.6 nM for rat or human cortex α7 nAChRs; displays >100-fold selective versus non-α7 nAChRs and other receptors; potently evokes human and rat α7 nAChR current responses in oocytes (EC50=50-90 nM) enhanced by A-867744; reduces spinal tau hyperphosphorylation in tau/amyloid precursor protein transgenic AD mice; improves cognition in monkey. Alzheimer Disease Phase 2 Discontinued

  • CAS Number: 855291-54-2
  • MF: C19H20N4O
  • MW: 320.388
  • Catalog: nAChR
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 598.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 315.4±30.1 °C

Benzomalvin B

Benzomalvin B is the less active analogs of Benzomalvin A. Benzomalvin B is weakly active against substance P[1].

  • CAS Number: 157047-97-7
  • MF: C24H17N3O2
  • MW: 379.41100
  • Catalog: Neurokinin Receptor
  • Density: 1.28g/cm3
  • Boiling Point: 612.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 324ºC