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4-((2-chlorophenyl)amino)-6-((6-hydroxypyridin-2-yl)amino)nicotinamide ID: ALA5271559
Chembl Id: CHEMBL5271559
Max Phase: Preclinical
Molecular Formula: C17H14ClN5O2
Molecular Weight: 355.79
Associated Items:
Names and Identifiers Canonical SMILES: NC(=O)c1cnc(Nc2cccc(O)n2)cc1Nc1ccccc1Cl
Standard InChI: InChI=1S/C17H14ClN5O2/c18-11-4-1-2-5-12(11)21-13-8-15(20-9-10(13)17(19)25)22-14-6-3-7-16(24)23-14/h1-9H,(H2,19,25)(H3,20,21,22,23,24)
Standard InChI Key: PYJOHIHCMNCVLZ-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: 11.43CX Basic pKa: 5.77CX LogP: 4.65CX LogD: 4.64Aromatic Rings: 3Heavy Atoms: 25QED Weighted: 0.56Np Likeness Score: -1.29
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 ]
