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

AT6

AT6 is a PROTAC AT1 analogue, which is a highly selective bromodomain (Brd4) degrader.

  • CAS Number: 2098836-50-9
  • MF: C48H58ClN9O7S3
  • MW: 1004.68
  • Catalog: PROTAC
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2-(Trifluoromethyl)-D-phenylalanine

(R)-2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid is a phenylalanine derivative[1].

  • CAS Number: 130930-49-3
  • MF: C10H10F3NO2
  • MW: 233.187
  • Catalog: Others
  • Density: 1.364 g/cm3
  • Boiling Point: 299.4±40.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 134.9±27.3 °C

Ulecaciclib

Ulecaciclib is an orally activitive inhibitor of cyclin-dependent kinase (CDK), with Ki values of 0.62 μM (CDK2/Cyclin A), 0.2 nM (CDK4/Cyclin D1), 3 nM (CDK6/Cyclin D3), and 0.63 μM (CDK7/Cyclin H), respectively. Ulecaciclib can cross blood brain barrier and has good pharmacokinetic characteristics[1][2][3].

  • CAS Number: 2075750-05-7
  • MF: C25H33FN8S
  • MW: 496.65
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

L-Methionine-d3-methyl-d3-sulfonium chloride HCl-d6 hydrochloride

L-Methionine-d3-methyl-d3-sulfonium chloride HCl-d6 (hydrochloride) is the deuterium labeled L-Methionine-methyl-sulfonium chloride HCl hydrochloride[1].

  • CAS Number: 63889-27-0
  • MF: C6H15ClNO2S2
  • MW: 232.77200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Irsogladine Maleate

Irsogladine is a PDE4 inhibitor and muscarinic acetylcholine receptor binder.Target: PDE4; mACHRIrsogladine treatment (300 and 500 mg/kg/day) resulted in a dose-dependent reduction of angiogenesis in wild-type mice by 21 and 45.3% (P < 0.02, P < 0.001), in tPA-deficient mice by 42.6 and 46% (P < 0.001, P < 0.001), and in uPA-deficient mice by 27.2 and 46% (P < 0.05, p < 0.001), respectively. Irsogladine inhibits bFGF-induced angiogenesis in wild-type, tPA-knockout, and uPA-knockout mice [1]. Irsogladine up-regulates GJIC between PC cells via regulation of the PKA pathway. It also suggests a useful adjuvant of Irsogladine to pancreatic cancer therapy [2]. irsogladine produces the increase of intracellular cAMP content via non-selective inhibition of PDE isozymes, which may be a key mechanism involved in its gastroprotective actions [3].

  • CAS Number: 84504-69-8
  • MF: C13H11Cl2N5O4
  • MW: 372.164
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: 552.2ºC at 760 mmHg
  • Melting Point: 181-182°C
  • Flash Point: 287.8ºC

PSB-12379

PSB-12379 is a potent Ecto-5'-Nucleotidase (CD73) inhibitor with Kis of 9.03 nM (rat) and 2.21 nM (human).

  • CAS Number: 1802226-78-3
  • MF: C18H23N5O9P2
  • MW: 515.35
  • Catalog: Adenosine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Vernolide B

Vernolide-B has cytoxicity (ED50s: 3.78, 5.88, 6.42 μg/mL for KB, NCI-661, and HeLa cells respectively). Vernolide B is sesquiterpene lactone that can be isolated from Vernonia cinerea[1].

  • CAS Number: 618860-58-5
  • MF: C23H30O8
  • MW: 434.48
  • Catalog: Cancer
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 568.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 244.6±30.2 °C

[12]-Dehydrogingerdione

12-Dehydrogingerdione is an inhibitor of NO Synthase. 12-Dehydrogingerdione signi?cantly inhibits LPS-stimulated production of NO, IL-6 and PGE2 in Raw 264.7 cells[1].

  • CAS Number: 99742-05-9
  • MF: C23H34O4
  • MW: 374.51
  • Catalog: Interleukin Related
  • Density: 1.053±0.06 g/cm3(Predicted)
  • Boiling Point: 541.4±50.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

OY-101

OY-101 is an orally active, potent and specific P-glycoprotein (P-gp) inhibitor. OY-101 can sensitize drug-resistant tumors and effectively reverse tumor multidrug resistance. OY-101 is improvements in water-solubility, cytotoxicity, and reversal activity compared to Tetrandrine (HY-13764)[1].

  • CAS Number: 41183-02-2
  • MF: C27H31NO4
  • MW: 433.54
  • Catalog: P-glycoprotein
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pegaldesleukin

Pegaldesleukin is a conjugate of polyethylene glycol and interleukin-2 (PEG-IL2). Pegaldeslukin has antiviral activity and has potential applications in HIV, possibly delaying the progression of HIV infection by retaining the immune repertoire[1][2][3].

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

CDK9-IN-8

CDK9-IN-8 is a highly effective and selective CDK9 inhibitor with an IC50 of 12 nM.

  • CAS Number: 2105956-51-0
  • MF: C31H32FN7O3
  • MW: 569.63
  • Catalog: CDK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrojasmone

Dihydrojasmone, compound 4, constituent of bergamot oil, is an important perfume ingredient[1].

  • CAS Number: 1128-08-1
  • MF: C11H18O
  • MW: 166.26000
  • Catalog: Others
  • Density: 0.916 g/mL at 25 °C(lit.)
  • Boiling Point: 120-121 °C12 mm Hg(lit.)
  • Melting Point: N/A
  • Flash Point: 230 °F

Lupeol caffeate

Caffeoxylupeol is a natural compound with anticancer activity that can be isolated from the Leaves of Dalbergia velutina[1].

  • CAS Number: 103917-26-6
  • MF: C39H56O4
  • MW: 588.86
  • Catalog: Cancer
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 654.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 192.8±22.2 °C

AZD-5991

AZD-5991 is a potent and selective Mcl-1 inhibitor with an IC50 of 0.7 nM in FRET assay and a Kd of 0.17 nM in surface plasmon resonance (SPR) assay.

  • CAS Number: 2143061-81-6
  • MF: C35H34ClN5O3S2
  • MW: 672.26
  • Catalog: Bcl-2 Family
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Implitapide

Implitapide (AEGR 427) is a microsomal triglyceride transfer protein (MTP) inhibitor.

  • CAS Number: 177469-96-4
  • MF: C35H37N3O2
  • MW: 531.687
  • Catalog: Cardiovascular Disease
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 739.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 400.9±32.9 °C

Bromoiodoacetamide

Bromoiodoacetamide is a kind of iodinated haloacetamides (I-HAcAms), with cytotoxicity. Bromoiodoacetamide induces cytotoxicity by via reactive oxygen species (ROS) accumulation and apoptosis in HepG-2 cells[1].

  • CAS Number: 62872-36-0
  • MF: C2H3BrINO
  • MW: 263.86000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

NS 1738

NS1738 is a novel positive allosteric modulator of the α7 nAChR, with respect to positive modulation of α7 nAChR (EC50=3.4 μM in oocyte experiments).

  • CAS Number: 501684-93-1
  • MF: C14H9Cl2F3N2O2
  • MW: 365.13500
  • Catalog: nAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MAO-IN-1

MAO-IN-1 is a monoamine oxidase B (MAO B) inhibitor with an IC50 of 20 nM.

  • CAS Number: 124991-40-8
  • MF: C17H19ClO4
  • MW: 322.78
  • Catalog: Monoamine Oxidase
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Eupatolin

Eupatolin is a nature product that could be isolated from Rudbeckia hirta[1].

  • CAS Number: 29725-50-6
  • MF: C23H24O12
  • MW: 492.42900
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dapoxetine-d6

Dapoxetine-d6 is the deuterium labeled Dapoxetine[1]. Dapoxetine (LY-210448) is an orally active and selective serotonin reuptake inhibitor (SSRI). Dapoxetine can be used for the research of premature ejaculation (PE)[2].

  • CAS Number: 1132642-58-0
  • MF: C21H17D6NO
  • MW: 311.45
  • Catalog: Serotonin Transporter
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Verzistobart

Verzistobart is an IgG1κ antibody targeting the hepatitis A virus cellular receptor HAVCR2.

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

Chroman 1

Chroman 1 is a highly potent ROCK2 inhibitor, with an IC50 of 1 nM.

  • CAS Number: 1273579-40-0
  • MF: C24H28N4O4
  • MW: 436.50400
  • Catalog: ROCK
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Paliperidone

Paliperidone (9-hydroxyrisperidone) is a dopamine antagonist of the atypical antipsychotic class of medications. IC50 value:Target: dopamine receptorin vitro: Paliperidone inhibited MK-801 induced neurotoxicity both in MTT metabolism assay (p<0.01) and in lactate dehydrogenase (LDH) activity assay (p<0.01). Moreover, paliperidone could significantly retard MK-801-mediated inhibition of neurite outgrowth (p<0.01) and reverse MK-801-induced decreases of gene expression and phosphorylation of Akt1 and GSK3β (both p<0.01). Furthermore, these protective effects of paliperidone were blocked by pretreatment with a PI3K inhibitor LY294002 [1]. paliperidone works finely at low concentrations (10 and 50 μM) against Aβ(25-35) and MPP(+) and solely protected SH-SY5Y from hydrogen peroxide. At 100 μM, paliperidone completely diminished cell reduction induced by different stressors, regardless of their dosages. Paliperidone was demonstrated with a higher oxidative stress-scavenging properties than other APDs in several aspects, such as generated bulk glutathione, low HNE, and protein carbonyl productions [2].in vivo: The 9OHRIS (4 mg/bwkg) was administred by gastric tube. Four groups were formed depending on the treatment: (1) control, (2) stress, (3) 9OHRIS, (4) stress and parallel 9OHRIS treatment (n=5-6). The expression of APP, MAPK1, β-actin mRNAs from the perfused brain samples was measured with real-time PCR technique [3].Male offspring were treated orally via drinking water with vehicle, risperidone (0.01mg/kg/day), or paliperidone (0.01mg/kg/day) between postnatal days 35 and 56 (periadolescence) and extracellular glutamate levels in the prefrontal cortex were determined by microdialysis at PD 56 [4].

  • CAS Number: 144598-75-4
  • MF: C23H27FN4O3
  • MW: 426.484
  • Catalog: Dopamine Receptor
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 612.3±65.0 °C at 760 mmHg
  • Melting Point: 158-160°C
  • Flash Point: 324.1±34.3 °C

L-Histidine

L-Hisidine is an essential amino acid for infants. L-Hisidine is an inhibitor of mitochondrial glutamine transport.

  • CAS Number: 71-00-1
  • MF: C6H9N3O2
  • MW: 155.155
  • Catalog: Mitochondrial Metabolism
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 458.9±35.0 °C at 760 mmHg
  • Melting Point: 282 °C (dec.)(lit.)
  • Flash Point: 231.3±25.9 °C

TLR7 agonist 9

TLR7 agonist 9 (compound 10) is an aonist of TLR7. TLR7 agonist 9 can be used for research of cancer and infectious disease[1].

  • CAS Number: 2389988-38-7
  • MF: C14H17N5O7
  • MW: 367.31
  • Catalog: Toll-like Receptor (TLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Inosine-15N4

Inosine-15N4 is the 15N labeled Inosine[1].

  • CAS Number: 204634-01-5
  • MF: C10H1215N4O5
  • MW: 272.20
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

CYP17-IN-1

CYP17-IN-1 (compound 9c) is a potent and orally active CYP17 inhibitor against rat and human CYP17 with IC50s of 15.8 and 20.1 nM[1].

  • CAS Number: 2093317-51-0
  • MF: C18H17FN2S
  • MW: 312.40
  • Catalog: Cytochrome P450
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Pyanchor

Pyribenzoxim (LGC-40863) is a broad-spectrum herbicide. Pyribenzoxim has a higher safety level in bentgrass and a stronger herbicidal activity on grass weeds[1].

  • CAS Number: 168088-61-7
  • MF: C32H27N5O8
  • MW: 609.586
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 810.8±75.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 444.1±37.1 °C

ATR-IN-4

ATR-IN-4 is a potent ATR (Ataxia telangiectasia mutated gene Rad 3-associated kinase) inhibitor. ATR-IN-4 inhibits growth of human prostate cancer cells DU145 and human lung cancer cells NCI-H460 with IC50s of 130.9 nM and 41 .33 nM, respectively. (Patent CN112142744A, compound 13)[1].

  • CAS Number: 2574545-45-0
  • MF: C18H20N8O
  • MW: 364.40
  • Catalog: ATM/ATR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

BET-IN-7

BET-IN-7 (Compound 1) is a potent inhibitor of BET with a Ki and Kd of 12.27 and 89.3 μM, respectively. BET-IN-7 has the potential for the research of sepsis[1].

  • CAS Number: 303985-05-9
  • MF: C18H12ClN3OS
  • MW: 353.83
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A