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.
4-((2-chlorophenyl)amino)-6-((5-hydroxypyridin-2-yl)amino)nicotinamide ID: ALA5268459
Chembl Id: CHEMBL5268459
Max Phase: Preclinical
Molecular Formula: C17H14ClN5O2
Molecular Weight: 355.79
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)c1cnc(Nc2ccc(O)cn2)cc1Nc1ccccc1Cl
Standard InChI: InChI=1S/C17H14ClN5O2/c18-12-3-1-2-4-13(12)22-14-7-16(21-9-11(14)17(19)25)23-15-6-5-10(24)8-20-15/h1-9,24H,(H2,19,25)(H2,20,21,22,23)
Standard InChI Key: BDFXWFUXDCODKM-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: 355.79Molecular Weight (Monoisotopic): 355.0836AlogP: 3.42#Rotatable Bonds: 5Polar Surface Area: 113.16Molecular Species: NEUTRALHBA: 6HBD: 4#RO5 Violations: 0HBA (Lipinski): 7HBD (Lipinski): 5#RO5 Violations (Lipinski): 0CX Acidic pKa: 9.63CX Basic pKa: 6.06CX LogP: 4.06CX LogD: 4.04Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.56Np Likeness Score: -0.99
References 1. Thoma G, Vangrevelinghe E, Luneau A, Piechon P, Beerli C, Zerwes HG.. (2023) Novel Concept for Super-Soft Topical Drugs: Deactivation by an Enzyme-Induced Switch into an Inactive Conformation., 14 (6): [PMID:37312861 ] [10.1021/acsmedchemlett.3c00169 ]
