The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
N-(2-chloro-6-(2-fluoroethoxy)pyridin-4-yl)-2-(4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl)hydrazine-1-carboxamide ID: ALA5204017
Chembl Id: CHEMBL5204017
PubChem CID: 168293778
Max Phase: Preclinical
Molecular Formula: C21H18ClF2N7O2
Molecular Weight: 473.87
Associated Items:
Names and Identifiers Canonical SMILES: Cn1ncc2c(-c3ccc(F)cc3)cc(NNC(=O)Nc3cc(Cl)nc(OCCF)c3)nc21
Standard InChI: InChI=1S/C21H18ClF2N7O2/c1-31-20-16(11-25-31)15(12-2-4-13(24)5-3-12)10-18(28-20)29-30-21(32)26-14-8-17(22)27-19(9-14)33-7-6-23/h2-5,8-11H,6-7H2,1H3,(H,28,29)(H2,26,27,30,32)
Standard InChI Key: UEDRIYLPOWYDSM-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 473.87Molecular Weight (Monoisotopic): 473.1179AlogP: 4.32#Rotatable Bonds: 7Polar Surface Area: 105.99Molecular Species: NEUTRALHBA: 7HBD: 3#RO5 Violations: ┄HBA (Lipinski): 9HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.82CX Basic pKa: 1.43CX LogP: 4.20CX LogD: 4.20Aromatic Rings: 4Heavy Atoms: 33QED Weighted: 0.27Np Likeness Score: -1.90
References 1. Luo D, Guo Z, Zhao X, Wu L, Liu X, Zhang Y, Zhang Y, Deng Z, Qu X, Cui S, Wan S.. (2022) Novel 5-fluorouracil sensitizers for colorectal cancer therapy: Design and synthesis of S1P receptor 2 (S1PR2) antagonists., 227 [PMID:34688013 ] [10.1016/j.ejmech.2021.113923 ]