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

Isotanshinone IIA

Isotanshinone IIA, an abietane-type diterpene metabolite, could non-competitively inhibit Protein Tyrosine Phosphatase 1B (PTP1B) activity with an IC50 0f 11.4 μM.

  • CAS Number: 20958-15-0
  • MF: C19H18O3
  • MW: 294.34400
  • Catalog: Phosphatase
  • Density: N/A
  • Boiling Point: 471.1±45.0 °C(Predicted)
  • Melting Point: N/A
  • Flash Point: N/A

Oseltamivir D3

Oseltamivir D3 is a deuterium labeled Oseltamivir. Oseltamivir is an influenza virus neuraminidase inhibitor (NAI). Oseltamivir inhibits influenza A/H3N2, A/H1N2, A/H1N1, and B viruses with mean IC50s of 0.67, 0.9, 1.34 and 13 nM, respectively. Anti-influenza A and B agent[1].

  • CAS Number: 1093851-61-6
  • MF: C16H25D3N2O4
  • MW: 315.42300
  • Catalog: Influenza Virus
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

1,5-Dihydroxy-3-methoxyxanthone

Mesuaxanthone A is a xanthone with anti-inflammatory activities. Mesuaxanthone A shows typical CNS depressant effects[1].

  • CAS Number: 3561-81-7
  • MF: C14H10O5
  • MW: 258.226
  • Catalog: Inflammation/Immunology
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 507.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 200.2±23.6 °C

PROTAC EGFR degrader 6

PROTAC EGFR degrader 6 (Compound 2), a PROTAC EGFR degrader, potently degrades EGFRDel19 in HCC827 cells with the DC50 of 45.2 nM. PROTAC EGFR degrader 6 significantly induces the apoptosis of HCC827 cells and arrest the cells in G1 phase[1].

  • CAS Number: 2409793-28-6
  • MF: C49H57FN12O5
  • MW: 913.05
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Edonerpic maleate

Edonerpic maleate is a novel neurotrophic agent which can inhibit amyloid-β peptides (Aβ).

  • CAS Number: 519187-97-4
  • MF: C20H25NO6S
  • MW: 407.481
  • Catalog: Amyloid-β
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

DL-O-Tyrosine

DL-O-Tyrosine is a tyrosine derivative[1].

  • CAS Number: 2370-61-8
  • MF: C9H11NO3
  • MW: 181.18900
  • Catalog: Others
  • Density: 1.333g/cm3
  • Boiling Point: 369ºC at 760mmHg
  • Melting Point: 260ºC
  • Flash Point: 177ºC

6β-Naltrexol

6β-Naltrexol (6β-Hydroxynaltrexone), the primary metabolite of Naltrexone, is a peripherally selective opioid antagonist. 6β-Naltrexol selectively inhibits gastrointestinal opioid effects in human subjects and inhibits Morphine-induced slowing of gastrointestinal transit[1].

  • CAS Number: 49625-89-0
  • MF: C20H25NO4
  • MW: 343.42
  • Catalog: Opioid Receptor
  • Density: 1.48g/cm3
  • Boiling Point: 557.5ºC at 760mmHg
  • Melting Point: 90-96ºC
  • Flash Point: 291ºC

Propargyl-PEG4-(CH2)3-methyl ester

Propargyl-PEG4-CH2-methyl ester is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 1872433-63-0
  • MF: C14H24O6
  • MW: 288.34
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

5-Nitro-α-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide

Anxiolytic/nonsedative agent-1 (compound 2b) is a potent and selective GABAA agonist. Anxiolytic/nonsedative agent-1 shows appreciable affinity for the BzR in bovine brain membranes with Kis of 14, 121, 239 nM for α1β2γ2, α2β2γ2, α5β3γ2, respectively. Anxiolytic/nonsedative agent-1 shows α2 selective efficacy in vitro and anxioselective effects in vivo[1].

  • CAS Number: 355022-97-8
  • MF: C18H15N3O4
  • MW: 337.32900
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FB1

Fumonisin B1 is a mycotoxin produced from Fusarium moniliforme. Fumonisin B1 is a potent inhibitor of sphingosine N-acyltransferase (ceramide synthase) and disrupts de novo sphingolipid biosynthesis. Fumonisin B1 is the most abundant and toxic fumonisin[1][2].

  • CAS Number: 116355-83-0
  • MF: C34H59NO15
  • MW: 721.830
  • Catalog: Infection
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 924.9±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 513.2±34.3 °C

Tyk2-IN-13

Tyk2-IN-13 (compound 30) is an orally active TYK2 inhibitor. Tyk2-IN-13 inhibits IFNα stimulated STAT3 phosphorylation with an IC50 value of 1.90 nM. Tyk2-IN-13 can be used for the research of autoimmune diseases[1].

  • CAS Number: 2775417-67-7
  • MF: C29H30D3N7O6
  • MW: 578.63
  • Catalog: Interleukin Related
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

sodium gualenate

Sodium gualenate (Guaiazulenesulfonate sodium) is a hydrophilic derivative of guaiazulene with excellent anti-inflammatory and wound-healing effects mainly used for the treatment of duodenal ulcer, gastric ulcer and gastritis.

  • CAS Number: 6223-35-4
  • MF: C15H17NaO3S
  • MW: 300.348
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 98°C(lit.)
  • Flash Point: N/A

Cyproterone acetate-d3

Cyproterone acetate-d3 is deuterium labeled Cyproterone acetate. Cyproterone acetate is an anti-androgen (IC50=7.1 nM) and progestogen synthetic steroid. Cyproterone acetate has affinity with progesteron and with glucocorticoidal receptors[1][2].

  • CAS Number: 2376035-90-2
  • MF: C24H26D3ClO4
  • MW: 419.96
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(4aα)-2-Methylene-5,5,8aβ-trimethyldecalin-1β-methanol

Albicanol is a sesquiterpenoid with potent antioxidant and antagonistic activities against heavy metal toxicity. Albicanol shows cytotoxicity. Albicanol suppress profenofos (HY-B0832) induced genotoxicity in grass carp hepatocytes[1][2].

  • CAS Number: 54632-04-1
  • MF: C15H26O
  • MW: 222.36600
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Boc-glycine Ethyl Ester

Ethyl (tert-Butoxycarbonyl)glycinate is a Glycine (HY-Y0966) derivative[1].

  • CAS Number: 14719-37-0
  • MF: C9H17NO4
  • MW: 203.236
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 284.0±23.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 125.5±22.6 °C

5-Hydroxy-7-acetoxy-8-methoxyflavone

5-Hydroxy-7-acetoxy-8-methoxyflavone (compound F24) is a flavone[1].

  • CAS Number: 95480-80-1
  • MF: C18H14O6
  • MW: 326.300
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 536.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 198.3±23.6 °C

Danicamtiv

Danicamtiv is a positive inotropic agent.

  • CAS Number: 1970972-74-7
  • MF: C16H20F3N5O4S
  • MW: 435.422
  • Catalog: Myosin
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-BICUCULLINE METHOCHLORIDE

Bicuculline ((+)-Bicuculline; d-Bicuculline) methochloride is a selective GABAA receptor antagonist with an IC50 value of 3 μM. Bicuculline methochloride induces clonic tonic convulsions in mammals and can also be used to block Ca2+ activated potassium channels. Bicuculline methochloride can be used in studies of epilepsy and other related psychiatric disorders[1][2].

  • CAS Number: 38641-83-7
  • MF: C21H20ClNO6
  • MW: 417.84000
  • Catalog: GABA Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Nystatin

Nystatin is a polyene antifungal antibiotic effective against yeast and mycoplasma.

  • CAS Number: 1400-61-9
  • MF: C47H75NO17
  • MW: 276.414
  • Catalog: Fungal
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 400.2±14.0 °C at 760 mmHg
  • Melting Point: >155°C (dec.)
  • Flash Point: 297.0±15.2 °C

DBCO-PEG4-C2-acid

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

  • CAS Number: 1537170-85-6
  • MF: C30H36N2O8
  • MW: 552.615
  • Catalog: PROTAC Linker
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 839.7±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 461.7±34.3 °C

p-Toluenesulfonic acid monohydrate

p-Toluenesulfonic acid monohydrate, a strong organic acid, acts as organic catalyst used in organic synthesis [1][2].

  • CAS Number: 6192-52-5
  • MF: C7H10O4S
  • MW: 190.217
  • Catalog: Others
  • Density: 1,24 g/cm3
  • Boiling Point: 140°C 20mm
  • Melting Point: 96-99 °C(lit.)
  • Flash Point: 180 °C

Syn-ake

Dipeptide diaminobutyroyl benzylamide diacetate, a Wagerlin-1-mimicking peptide, is a mAChR antagonist. Dipeptide diaminobutyroyl benzylamide diacetate can induce muscle relaxation[1].

  • CAS Number: 823202-99-9
  • MF: C23H37N5O7
  • MW: 495.57
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Loratadine

Loratadine(SCH-29851) is a selective inverse peripheral histamine H1-receptor agonist with an IC50 of >32 μM.IC50 value: 32 uMTarget: H1-receptorLoratadine is a non-sedative antihistamine that inhibits histamine-induced activities of IL-6 and IL-8 secretion in endothelial cells.

  • CAS Number: 79794-75-5
  • MF: C22H23ClN2O2
  • MW: 382.883
  • Catalog: Histamine Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 531.3±50.0 °C at 760 mmHg
  • Melting Point: 134-136°C
  • Flash Point: 275.1±30.1 °C

Phenethyl alcohol

2-Phenylethanol (Phenethyl alcohol), extracted from rose, carnation, hyacinth, Aleppo pine, orange blossom and other organisms, is a colourless liquid that is slightly soluble in water. It has a pleasant floral odor and also an autoantibiotic produced by the fungus Candida albicans[1]. It is used as an additive in cigarettes and also used as a preservative in soaps due to its stability in basic conditions.

  • CAS Number: 60-12-8
  • MF: C8H10O
  • MW: 122.164
  • Catalog: Infection
  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 218.2±8.0 °C at 760 mmHg
  • Melting Point: −27 °C(lit.)
  • Flash Point: 102.2±0.0 °C

Esaxerenone

Esaxerenone is a novel, highly potent and selective non-steroidal mineralocorticoid receptor antagonist.

  • CAS Number: 1632006-28-0
  • MF: C22H21F3N2O4S
  • MW: 466.473
  • Catalog: Mineralocorticoid Receptor
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 581.3±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 305.4±30.1 °C

12-Hydroxyabieta-8,12-diene-11,14-dione

Royleanone, a diterpenoid isolated from plants, inhibits the proliferation of cancer cells by inducing cell cycle arrest and mitochondria-mediated apoptosis, also inhibits cell migration potential, inhibits mTOR/PI3/AKT signaling pathway in LNCaP prostate cancer cells[1].

  • CAS Number: 6812-87-9
  • MF: C20H28O3
  • MW: 316.43
  • Catalog: Akt
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 426.4±45.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 225.8±25.2 °C

7-deazaguanosine

7-Deazaguanosine 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: 62160-23-0
  • MF: C11H14N4O5
  • MW: 282.25
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: 2.06g/cm3
  • Boiling Point: 668.3ºC at 760mmHg
  • Melting Point: >250ºC dec
  • Flash Point: 358ºC

Nav1.7 inhibitor

Nav1.7 inhibitor is a potent Nav1.7 inhibitor.IC50 value:Target: Nav1.7Preparation of sulfonamide derivatives as Nav1.7 inhibitorsBy Brown, Alan Daniel; Rawson, David James; Storer, Robert Ian; Swain, Nigel Alan From PCT Int. Appl. (2012), WO 2012007868 A2 20120119.

  • CAS Number: 1355631-24-1
  • MF: C15H11Cl3FNO4S
  • MW: 426.67500
  • Catalog: Sodium Channel
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

diethofencarb

Diethofencarb is a fungicide with strong activity against Botrytis cinerea and Benzimidazole-resistant strains of Botryis spp. Diethofencarb has a role as an antifungal agrochemical[1].

  • CAS Number: 87130-20-9
  • MF: C14H21NO4
  • MW: 267.321
  • Catalog: Fungal
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 325.9±32.0 °C at 760 mmHg
  • Melting Point: 87-89 °C(lit.)
  • Flash Point: 150.9±25.1 °C

Piperidin-4-amine-d5

Piperidin-4-amine-d5 is the deuterium labeled Piperidin-4-amine[1].

  • CAS Number: 1219803-60-7
  • MF: C5H12N2
  • MW: 100.162
  • Catalog: Others
  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 158.9±8.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 53.4±22.0 °C