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

1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid

Bz-DTPA is a bifunctional chelator. Bz-DTPA can be used for preparing immunoconjugate of monoclonal antibody 2G3 labeled with indium-111[1].

  • CAS Number: 102650-30-6
  • MF: C22H28N4O10S
  • MW: 540.54
  • Catalog: Inflammation/Immunology
  • Density: 1.43g/cm3
  • Boiling Point: 858.8ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 473.2ºC

midecamycin

Midecamycin, an acetoxy-substituted macrolide antibiotic, is tested against gram-positive and gram-negative bacteria.

  • CAS Number: 35457-80-8
  • MF: C41H67NO15
  • MW: 813.968
  • Catalog: Bacterial
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 874.0±65.0 °C at 760 mmHg
  • Melting Point: 155℃ -156℃
  • Flash Point: 482.4±34.3 °C

LRRK2-IN-7

LRRK2-IN-7 is a potent, selective, and CNS-penetrant LRRK2 kinase inhibitor with an IC50 of 0.9 nM. LRRK2-IN-7 shows >1000-fold selectivity over other kinases, ion channels, and CYP enzymes[1].

  • CAS Number: 2307277-93-4
  • MF: C24H26N6O
  • MW: 414.50
  • Catalog: LRRK2
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Methyldopate

Methyldopate is an ethyl ester prodrug of α-Methyldopa (α-MD; HY-B0225). Methyldopa (L-(-)-α-Methyldopa) is an α-adrenergic agonist (selective for α2-adrenergic receptors). Methyldopate has the potential for severe hypertension research [1].

  • CAS Number: 6014-30-8
  • MF: C12H17NO4
  • MW: 239.268
  • Catalog: Adrenergic Receptor
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 398.0±37.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 194.5±26.5 °C

L-(-)-Serine

L-Isoserine is a serine derivative[1].

  • CAS Number: 632-13-3
  • MF: C3H7NO3
  • MW: 105.093
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 386.6±27.0 °C at 760 mmHg
  • Melting Point: 199-201ºC (dec)
  • Flash Point: 187.6±23.7 °C

Anticancer agent 149

Anticancer agent 149 (compound 3) is an anticancer agent isolated from the rhizome of Dioscorea dioscorea (DM). Anticancer agent 149 exhibits selective cytotoxic activity against MCF-7 cells (IC50=31.41 μM)[1].

  • CAS Number: 1810733-76-6
  • MF: C16H16O5
  • MW: 288.30
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(S)-16-Amino-10-benzyl-6,9,12,15-tetraoxo-3-oxa-5,8,11,14-tetraazahexadecanoic acid

Gly-Gly-Phe-Gly-NH-CH2-O-CH2COOH is an ADC Linker that can be used to synthesize Drug-Linker Conjugates for ADC. Especially for the synthesis of Deruxtecan (HY-13631E), a toxic drug-linker conjugate[1].

  • CAS Number: 1599440-20-6
  • MF: C18H25N5O7
  • MW: 423.42
  • Catalog: ADC Linker
  • Density: 1.339±0.06 g/cm3(Predicted)
  • Boiling Point: 971.9±65.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

1-(3,4-Dihydroxyphenyl)ethanone

3',4'-Dihydroxyacetophenone (3,4-DHAP), isolated from Picea Schrenkiana Needles exhibits a strong suppressive action against tyrosinase activity, with an IC50 of 10 μM. 3',4'-Dihydroxyacetophenone (3,4-DHAP) is a vasoactive agent and antioxidant[1][2].

  • CAS Number: 1197-09-7
  • MF: C8H8O3
  • MW: 152.147
  • Catalog: Tyrosinase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 372.4±27.0 °C at 760 mmHg
  • Melting Point: 117 °C
  • Flash Point: 193.2±20.2 °C

ML375

ML375 (VU-0483253) is a potent, highly selective M5 NAM with submicromolar potency (human M5 IC50=300 nM, rat M5 IC50=790 nM, M1-M4 IC50> 30 uM), exhibts excellent multispecies PK, high CNS penetration, and enantiospecific inhibition.

  • CAS Number: 1488362-55-5
  • MF: C23H15ClF2N2O2
  • MW: 424.827
  • Catalog: mAChR
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 611.6±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 323.7±31.5 °C

Clothianidin-2-S-propanoic acid

Clothianidin-2-S-propanoic acid is a clothianidin hapten. Clothianidin-2-S-propanoic can be used for the research of insecticide[1].

  • CAS Number: 912270-45-2
  • MF: C9H13N5O4S2
  • MW: 319.36
  • Catalog: Infection
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dapagliflozin impurity A

Dapagliflozin impurity A (Compound A) is a dapagliflozin peroxide, a genotoxic impurity, can cause damage to human genetic material at very low concentrations, leading to genetic mutations and possibly tumorigenesis[1].

  • CAS Number: 2452300-94-4
  • MF: C21H25ClO8
  • MW: 440.87
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Rhodblock 6

Rhodblock 6 is a Rho kinase (ROCK) inhibitor that inhibits phospho-MRLC (myosin regulatory light chain) localization[1].

  • CAS Number: 886625-06-5
  • MF: C12H13N3O
  • MW: 215.25
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

SWS1

SWS1 is a d-(+)-biotin-conjugated PD-L1 inhibitor (IC50: 1.8 nM) with anticancer activity. SWS1 can increase the number of tumor-infiltrating lymphocytes and exhibit anti-tumor efficacy in the B16-F10 mouse model (TGI=66.1%)[1].

  • CAS Number: 2922115-32-8
  • MF: C47H53ClN6O5S
  • MW: 849.48
  • Catalog: PD-1/PD-L1
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-4827 tosylate

Niraparib tosylate (MK-4827 tosylate) is an excellent PARP1 and PARP2 inhibitor with an IC50 of 3.8 and 2.1 nM, respectively.

  • CAS Number: 1038915-73-9
  • MF: C26H28N4O4S
  • MW: 492.59000
  • Catalog: PARP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Tribromometacresol

2,4,6-Tribromo-3-methylphenol is an active compound[1].

  • CAS Number: 4619-74-3
  • MF: C7H5Br3O
  • MW: 344.826
  • Catalog: Others
  • Density: 2.3±0.1 g/cm3
  • Boiling Point: 281.1±35.0 °C at 760 mmHg
  • Melting Point: 81.5-85.5 °C(lit.)
  • Flash Point: 123.8±25.9 °C

5,5'-Dinitro BAPTA AM

5,5'-Dinitro BAPTA AM is a membrane-permeant, high-affinity calcium chelator, it can be used for investigation of the role of cytosolic Ca2+. 5,5'-Dinitro BAPTA AM can be loaded by incubation into live cells, and is cleaved by cytosolic esterases to liberate the active tetra-carboxylate ligand[1].

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

7-Bromoquinazoline-2,4-diamine

DHFR-IN-3 is a dihydrofolate reductase (DHFR) inhibitor with the IC50 values of 19 μM and 12 μM in rat liver and P. carinii DHFR, respectively[1].

  • CAS Number: 137553-43-6
  • MF: C8H7BrN4
  • MW: 239.072
  • Catalog: Antifolate
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 509.4±58.0 °C at 760 mmHg
  • Melting Point: 255-256°C
  • Flash Point: 261.9±32.3 °C

KRAS G12C inhibitor 25

KRAS G12C inhibitor 25 is a KRAS G12C inhibitor. KRAS G12C inhibitor 25 inhibits SOSl-assisted GDP/GTP exchanging activity of KRAS-G12C mutant (IC50=0.48 nM). From WO2021216770A1 compound 3[1].

  • CAS Number: 2734060-73-0
  • MF: C32H41N7O2
  • MW: 555.71
  • Catalog: Ras
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

6-Feruloylcatalpol

6''-O-trans-Feruloylcatalpol is a natural iridoid glycoside compound[1].

  • CAS Number: 770721-33-0
  • MF: C25H30O13
  • MW: 538.50
  • Catalog: Others
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 791.2±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 266.9±26.4 °C

Tiamulin

Tiamulin (Thiamutilin) is a diterpenic veterinary drug widely used in swine for the control of infectious diseases, including swine dysentery and enzootic pneumonia[1][2][3].

  • CAS Number: 55297-95-5
  • MF: C28H47NO4S
  • MW: 493.742
  • Catalog: Bacterial
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 563.0±50.0 °C at 760 mmHg
  • Melting Point: 147-148ºC
  • Flash Point: 294.3±30.1 °C

PI3K-IN-27

PI3K-IN-27 is a potent inhibitor of PI3K. PI3K belongs to a large family of lipid signaling kinase that plays key role in cellular process including cell growth, differentiation, migration and apoptosis. PI3K-IN-27 has the potential for the research of hyper-proliferative diseases like cancer and inflammation, or immune and autoimmune diseases (extracted from patent WO2021233227A1, compound 1)[1].

  • CAS Number: 2742654-38-0
  • MF: C30H26F2N6O2S
  • MW: 572.63
  • Catalog: PI3K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,2,3,5-Tetramethylbenzene-d14

1,2,3,5-Tetramethylbenzene-d14 is the deuterium labeled 1,2,3,5-Tetramethylbenzene[1].

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

Montelukast sodium

Montelukast sodium is a potent, selective CysLT1 receptor antagonist.

  • CAS Number: 151767-02-1
  • MF: C35H35ClNNaO3S
  • MW: 608.165
  • Catalog: Autophagy
  • Density: N/A
  • Boiling Point: 750.5ºC at 760mmHg
  • Melting Point: 115 °C(dec.)
  • Flash Point: 407.7ºC

((4-(tert-Butyl)phenyl)sulfonyl)alanine

((4-(tert-Butyl)phenyl)sulfonyl)alanine is an alanine derivative[1].

  • CAS Number: 159855-98-8
  • MF: C13H19NO4S
  • MW: 285.35900
  • Catalog: Others
  • Density: 1.215g/cm3
  • Boiling Point: 439.1ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 219.3ºC

Brazilein

Brazilein is an important immunosuppressive component isolated from Caesalpinia sappan L. Brazilein induces apoptosis in mice spleen lymphocytes[1].

  • CAS Number: 600-76-0
  • MF: C16H12O5
  • MW: 284.26300
  • Catalog: Apoptosis
  • Density: 1.65g/cm3
  • Boiling Point: 683.8ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 264.9ºC

PXS-6302 hydrochloride

PXS-6302 hydrochloride is an irreversible lysyl oxidase inhibitor with IC50s of 3.7 μM (Bovine LOX), 3.4 μM (rh LOXL1), 0.4 μM (rh LOXL2), 1.5 μM (rh LOXL3), 0.3 μM (rh LOXL4), respectively. PXS-6302 hydrochloride has readily skin penetrability, reduces collagen deposition and significantly improves scar appearance[1].

  • CAS Number: 2584947-79-3
  • MF: C10H11ClF3NO2S
  • MW: 301.71
  • Catalog: Monoamine Oxidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

9-Oxonerolidol

9-Oxonerolidol is a farnesane-type sesquiterpenoid with anti-pathogens activity. 9-Oxonerolidol can be isolated from Chiliadenus lopadusanus. 9-Oxonerolidol acts as a post-infectional inhibitor from plants, and inhibits Gram+ and Gram? bacteria resistant to the antibiotic[1][2].

  • CAS Number: 58865-88-6
  • MF: C15H24O2
  • MW: 236.35
  • Catalog: Bacterial
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 361.8±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 154.3±20.5 °C

Antifungal agent 20

Antifungal agent 20 exhibits remarkable antifungal activity against Colletotrichum gloeosprioides, Rhizoctonia solani, Phytophthora nicotianae var. nicotianae, Diplodia pinea, Colletotrichum acutatum, and Fusarium oxysporum f. sp. niveum.

  • CAS Number: 2460281-94-9
  • MF: C11H19N3S
  • MW: 225.35
  • Catalog: Fungal
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nonanoic acid-d17

Nonanoic acid-d17 is the deuterium labeled Nonanoic acid. Nonanoic acid is a naturally-occurring saturated fatty acid with nine carbon atoms. Nonanoic acid significantly reduces bacterial translocation, enhances antibacterial activity, and remarkably increases the secretion of porcine β-defensins 1 (pBD-1) and pBD-2[1].

  • CAS Number: 130348-94-6
  • MF: C9HD17O2
  • MW: 175.34
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Boc-N-methyl-D-Valinol

N-Boc-N-methyl-D-Valinol is an ADC linker with BOC protecting group.

  • CAS Number: 2165479-27-4
  • MF: C11H23NO3
  • MW: 217.30522
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A