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(E)-N'-((1H-indol-3-yl)methylene)-2-(4-chlorophenyl)acetohydrazide ID: ALA425837
Chembl Id: CHEMBL425837
PubChem CID: 135458928
Max Phase: Preclinical
Molecular Formula: C17H14ClN3O
Molecular Weight: 311.77
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: O=C(Cc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12
Standard InChI: InChI=1S/C17H14ClN3O/c18-14-7-5-12(6-8-14)9-17(22)21-20-11-13-10-19-16-4-2-1-3-15(13)16/h1-8,10-11,19H,9H2,(H,21,22)/b20-11+
Standard InChI Key: CJIOGAZAFHGGEP-RGVLZGJSSA-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: 311.77Molecular Weight (Monoisotopic): 311.0825AlogP: 3.51#Rotatable Bonds: 4Polar Surface Area: 57.25Molecular Species: NEUTRALHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 4HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.80CX Basic pKa: 1.35CX LogP: 3.65CX LogD: 3.65Aromatic Rings: 3Heavy Atoms: 22QED Weighted: 0.56Np Likeness Score: -1.47
References 1. Furci LM, Lopes P, Eakanunkul S, Zhong S, MacKerell AD, Wilks A.. (2007) Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targets., 50 (16): [PMID:17629261 ] [10.1021/jm0700969 ] 2. (2013) Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy,