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6-(aminomethyl)benzo[cd]indol-2(1H)-one ID: ALA3941462
Chembl Id: CHEMBL3941462
PubChem CID: 693265
Max Phase: Preclinical
Molecular Formula: C12H10N2O
Molecular Weight: 198.22
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: NCc1ccc2c3c(cccc13)C(=O)N2
Standard InChI: InChI=1S/C12H10N2O/c13-6-7-4-5-10-11-8(7)2-1-3-9(11)12(15)14-10/h1-5H,6,13H2,(H,14,15)
Standard InChI Key: IFBQILXPMNUJTD-UHFFFAOYSA-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: 198.22Molecular Weight (Monoisotopic): 198.0793AlogP: 1.86#Rotatable Bonds: 1Polar Surface Area: 55.12Molecular Species: BASEHBA: 2HBD: 2#RO5 Violations: ┄HBA (Lipinski): 3HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 9.44CX LogP: 1.21CX LogD: -0.79Aromatic Rings: 2Heavy Atoms: 15QED Weighted: 0.73Np Likeness Score: -0.20
References 1. (2013) Heme oxygenase inhibitors, screening methods for heme oxygenase inhibitors and methods of use of heme oxygenase inhibitors for antimicrobial therapy,