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

Peimisine hydrochloride

Peimisine (Ebeiensine) hydrochloride non-competitively antagonizes tracheal smooth muscle muscarinic M receptor and inhibits smooth muscle contraction caused by Ach. Peimisine hydrochloride excits β-receptor, restrains the release of internal calcium, and promotes to releaseing NO in order to relax tracheal smooth muscle and relieve asthma[1].

  • CAS Number: 900498-44-4
  • MF: C27H42ClNO3
  • MW: 464.080
  • Catalog: mAChR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PC Alkyne-PEG4-NHS ester

PC Alkyne-PEG4-NHS ester is a cleavable 4 unit PEG ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 1802907-98-7
  • MF: C29H39N3O14
  • MW: 653.63
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-(Azide-PEG3)-N'-(PEG4-acid)-Cy5

N-(Azide-PEG3)-N'-(PEG4-acid)-Cy5 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].

  • CAS Number: 2107273-42-5
  • MF: C44H62ClN5O9
  • MW: 840.44
  • Catalog: PROTAC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

AS6

AS6 is an ABA-induced PYL-PP2C interaction antagonist in a dose-dependent manner.

  • CAS Number: 1609660-14-1
  • MF: C21H32O4S
  • MW: 380.54
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Quercetin dihydrate

Quercetin (dihydrate), a natural flavonoid, is a stimulator of recombinant SIRT1 and a PI3K inhibitor with IC50s of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].

  • CAS Number: 6151-25-3
  • MF: C15H14O9
  • MW: 338.266
  • Catalog: PI3K
  • Density: N/A
  • Boiling Point: 642.4ºC at 760 mmHg
  • Melting Point: >300 °C(lit.)
  • Flash Point: N/A

(2H12)Indeno[1,2,3-cd]pyrene

Indeno[1,2,3-cd]pyrene-d12 is the deuterium labeled Indeno[1,2,3-cd]pyrene[1].

  • CAS Number: 203578-33-0
  • MF: C22D12
  • MW: 288.405
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 497.1±12.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 247.2±13.7 °C

4-methylumbelliferyl-beta-D-cellotrioside

4-Methylumbelliferyl β-cellotrioside, a chromogenic substrate for β-glycosidases, is a cellulose fluorescent derivative[1].

  • CAS Number: 84325-18-8
  • MF: C28H38O18
  • MW: 662.59100
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: 190-192ºC
  • Flash Point: N/A

Nitrofurantoin

Nitrofurantoin is an antibiotic usually used to treat urinary tract infections.

  • CAS Number: 67-20-9
  • MF: C8H6N4O5
  • MW: 238.157
  • Catalog: Bacterial
  • Density: 1.8±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: 268°C
  • Flash Point: N/A

Siraitic acid A

Siraitic Acid A is a cucurbitane triterpenoid isolated from the root of S. grosvenori [1].

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

Sorafenib Tosylate

Sorafenib tosylate is a potent multikinase inhibitor, with IC50s of 6 nM, 20 nM, and 22 nM for Raf-1, B-Raf, and VEGFR-3, respectively.

  • CAS Number: 475207-59-1
  • MF: C28H24ClF3N4O6S
  • MW: 637.027
  • Catalog: Autophagy
  • Density: 1.454 g/cm3
  • Boiling Point: 523.3ºC at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 270.3ºC

4-Methylumbelliferyl Decanoate

4-Methyl-2-oxo-2H-1-benzopyran-7-yl decanoate is a fluorogenic substrate used to follow the hydrolytic activity of carboxylesterases[1].

  • CAS Number: 66185-70-4
  • MF: C20H26O4
  • MW: 330.41800
  • Catalog: Metabolic Disease
  • Density: 1.084g/cm3
  • Boiling Point: 465.2ºC at 760 mmHg
  • Melting Point: 40-41ºC
  • Flash Point: 230.2ºC

Methyl vanillate glucoside

Methyl vanillate glucoside is a secondary metabolite thatcan be isolated from Lycium schweinfurthii[1].

  • CAS Number: 72500-11-9
  • MF: C15H20O9
  • MW: 344.314
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 568.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 209.2±23.6 °C

Regaloside A

Regaloside A, a phenylpropanoid, shows significant DPPH radical scavenging activity of 58.0% at 160 ppm. Regaloside A has anti-inflammatory activity[1].

  • CAS Number: 114420-66-5
  • MF: C18H24O10
  • MW: 400.37700
  • Catalog: NO Synthase
  • Density: 1.51g/cm3
  • Boiling Point: 729.1ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 260.7ºC

Prepro-Atrial Natriuretic Factor (56-92) (human) trifluoroacetate salt

Prepro-ANF (56-92), human is a human atrial natriuretic factor precursor. Prepro-ANF (56-92), human is also a Guanylate Cyclase activator that enhances particulate Guanylate Cyclase activity in the renal membrane and renal unit[1].

  • CAS Number: 112199-06-1
  • MF: C31H32N4O2
  • MW: 492.611
  • Catalog: Guanylate Cyclase
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 646.4±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 344.7±31.5 °C

Gentamycin Sulfate

Gentamicin sulfate, an aminoglycoside antibiotic, inhibits the growth of both gram-positive and gram-negative bacteria and to inhibit several strains of mycoplasma in tissue culture. It inhibits DNase I with an IC50 of 0.57 mM.

  • CAS Number: 1405-41-0
  • MF: C(19-21)H(39-43)N5O7·H2SO4
  • MW: 561.65 (Average)
  • Catalog: Bacterial
  • Density: N/A
  • Boiling Point: 797.6ºC at 760 mmHg
  • Melting Point: 218-237°C
  • Flash Point: 436.2ºC

Ds28120313

DS28120313 (compound 32) is an orally hepcidin production inhibitor with an IC50 of 0.093 μM[1].

  • CAS Number: 2146177-09-3
  • MF: C16H17N5O2
  • MW: 311.34
  • Catalog: Inflammation/Immunology
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

IOWH032

IOWH-032 is a novel and potent CFTR inhibitor (IC50=1.01 uM) in T84 and CHO-CFTR cell based assays.IC50 value: 1.01 uM (CHO-CFTR FLIPR) [1]Target: CFTRProfiling of iOWH032 showed it to be a CFTR inhibitor in T84 and CHO-CFTR cell based assays. It also demonstrated statistical significant inhibition at both 100 g & 10 g doses in the mouse closed-loop model. iOWH032 was further profiled in a cecetomized rat model. iOWH032 reduced the fecal output index by ~70%, compared to vehicle (choleratoxin), up to 8 hours after a single 5 mg/kg po dose.

  • CAS Number: 1191252-49-9
  • MF: C22H15Br2N3O4
  • MW: 545.180
  • Catalog: CFTR
  • Density: 1.7±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Darovasertib (LXS-196)

LXS196 is a potent and orally active protein kinase C (PKC) inhibitor under Phase I clinical trials for the treatment of uveal melanoma.

  • CAS Number: 1874276-76-2
  • MF: C22H23F3N8O
  • MW: 472.466
  • Catalog: PKC
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 592.7±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 312.3±30.1 °C

4-Methylbenzenesulfonhydrazide-d3

4-Methylbenzenesulfonhydrazide-d3 is the deuterium labeled 4-Methylbenzenesulfonhydrazide[1].

  • CAS Number: 109333-73-5
  • MF: C7H7D3N2O2S
  • MW: 189.25000
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

EDI048

EDI048 (compound 1.16) is an orally active Cryptosporidium PI4K inhibitor for the research of cryptosporidiosis[1].

  • CAS Number: 2767264-57-1
  • MF: C25H21ClN4O4
  • MW: 476.91
  • Catalog: PI4K
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Goniotriol

Goniotriol(compound 2) is a styrylpyronethat can be found in Goniothalamus amuyon. Goniotriolshows cytotoxicity[1].

  • CAS Number: 96405-62-8
  • MF: C13H14O5
  • MW: 250.25
  • Catalog: Others
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 554.8±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 218.0±23.6 °C

2'-Ethyl Simvastatin

2'-Ethyl Simvastatin (compound 6) is a Mevinolin analog, with HMG-CoA reductase inhibition[1].

  • CAS Number: 79902-42-4
  • MF: C23H34O5
  • MW: 390.51300
  • Catalog: HMG-CoA Reductase (HMGCR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-8318

MK-8318 is potent and selective CRTh2 receptor antagonist with a Ki of 5.0 nM.

  • CAS Number: 1416581-40-2
  • MF: C27H26F4N2O5
  • MW: 534.50
  • Catalog: Prostaglandin Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Isotachioside

Isotachioside is a aromatic glucoside that can be found in Berchemia racemosa[1].

  • CAS Number: 31427-08-4
  • MF: C13H18O8
  • MW: 302.277
  • Catalog: Others
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 579.9±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 304.5±30.1 °C

Izuforant

Izuforant (JW1601) (Compound 24) is an orally active histamine H4 receptor (H4R) antagonist with an IC50 of 36 nM against human H4R. Izuforant also shows binding affinity of human serotonin 3 receptor (h5-HT3R) with an IC50 of 9.1 μM. Izuforant exhibits strong anti-pruritic and anti-inflammatory efficacies[1][2].

  • CAS Number: 1429374-83-3
  • MF: C12H12BrN7
  • MW: 334.17
  • Catalog: Histamine Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PAT-1251

PAT-1251 is a potent, selective and oral Lysyl Oxidase-Like 2 (LOXL2) inhibitor, with IC50s of 0.71 and 1.17 μM for hLOXL2 and hLOXL3, respectively, and also potently inhibits mouse, rat, and dog LOXL2 (IC50s, 0.10, 0.12, and 0.16 μM, respectively); PAT-1251 has entered clinical development with the potential to treat a number of fibrotic diseases.

  • CAS Number: 2007885-39-2
  • MF: C18H17F4N3O3
  • MW: 399.34
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Dihydrobaicalin

Dihydrobaicalin is a flavonoid glycoside, which can be isolated from American skullcap (Scutellaria lateriflora L.)[1].

  • CAS Number: 56226-98-3
  • MF: C21H20O11
  • MW: 448.383
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Cisapride

Cisapride(R 51619) is a nonselective 5-HT4 receptor agonist, it is also a potent hERG potassium channel inhibitor.IC50 Value: 0.14 μM(EC50 for 5-HT4 receptor) [1]; 9.8 μM (Kv4.3) [2]Target: 5-HT4 Receptorin vitro: Cisapride showed higher inhibitory effects on a hERG current, as indicated by its IC50 of 9.4 × 10-9 M [1]. cisapride on cloned Kv4.3 channels stably expressed in Chinese hamster ovary cells were investigated using the whole-cell patch-clamp technique. Cisapride inhibited Kv4.3 in a concentration-dependent manner with IC50 values of 9.8 uM [2].in vivo: Cisapride (1 mg/kg i.v.), when administered 10 min after the start of GR113808 infusion, did not stimulate either antral or colonic motor activity under treatment with GR113808. The enhanced antral or colonic motor activity induced by these drugs was antagonized by treatment with GR113808 in dogs [3]. cisapride could not bring about more colitis damages through 5HT(4) receptors. Based on the present study further researches are required for investigating the exact roles of 5HT(4) receptors in the pathogenesis of ulcerative colitis[4].Toxicity: cardiac arrythmies

  • CAS Number: 81098-60-4
  • MF: C23H29ClFN3O4
  • MW: 465.945
  • Catalog: 5-HT Receptor
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 605.4±55.0 °C at 760 mmHg
  • Melting Point: 107 - 111ºC
  • Flash Point: 319.9±31.5 °C

ROR gamma-t-IN-1

GSK805 is a potent, orally bioavailable RORγγ Inhibitor with pIC50 of 8.4 and >8.2 for RORγ FRET assay and Th17 assay.

  • CAS Number: 1426802-50-7
  • MF: C23H18Cl2F3NO4S
  • MW: 532.359
  • Catalog: ROR
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 617.1±55.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 327.0±31.5 °C

RORγt Inverse agonist 2

RORγt Inverse agonist 2 is a selective, orally active RORγt inverse agonist with an EC50 of 119 nM[1].

  • CAS Number: 1801197-92-1
  • MF: C27H25F8NO5S
  • MW: 627.54
  • Catalog: ROR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A