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N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(2-methyl-1H-benzimidazol-1-yl)propanehydrazide ID: ALA2431390
Chembl Id: CHEMBL2431390
PubChem CID: 135641995
Max Phase: Preclinical
Molecular Formula: C22H20N4O2
Molecular Weight: 372.43
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cc1nc2ccccc2n1CCC(=O)N/N=C/c1c(O)ccc2ccccc12
Standard InChI: InChI=1S/C22H20N4O2/c1-15-24-19-8-4-5-9-20(19)26(15)13-12-22(28)25-23-14-18-17-7-3-2-6-16(17)10-11-21(18)27/h2-11,14,27H,12-13H2,1H3,(H,25,28)/b23-14+
Standard InChI Key: SOPYTFSYTUAGFR-OEAKJJBVSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: 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: 372.43Molecular Weight (Monoisotopic): 372.1586AlogP: 3.74#Rotatable Bonds: 5Polar Surface Area: 79.51Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 8.57CX Basic pKa: 6.16CX LogP: 3.34CX LogD: 3.29Aromatic Rings: 4Heavy Atoms: 28QED Weighted: 0.41Np Likeness Score: -1.64
References 1. Zhou M, Eun YJ, Guzei IA, Weibel DB.. (2013) Structure-activity studies of divin: an inhibitor of bacterial cell division., 4 (9): [PMID:24044050 ] [10.1021/ml400234x ]