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2-Bromo-5,10-dihydro-indeno[1,2-b]indole ID: ALA593667
Chembl Id: CHEMBL593667
PubChem CID: 46225644
Max Phase: Preclinical
Molecular Formula: C15H10BrN
Molecular Weight: 284.16
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Brc1ccc2c(c1)Cc1c-2[nH]c2ccccc12
Standard InChI: InChI=1S/C15H10BrN/c16-10-5-6-11-9(7-10)8-13-12-3-1-2-4-14(12)17-15(11)13/h1-7,17H,8H2
Standard InChI Key: UDCPKOZAKWHAJJ-UHFFFAOYSA-N
Associated Targets(Human) 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: 284.16Molecular Weight (Monoisotopic): 282.9997AlogP: 4.50#Rotatable Bonds: ┄Polar Surface Area: 15.79Molecular Species: NEUTRALHBA: ┄HBD: 1#RO5 Violations: ┄HBA (Lipinski): 1HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: 12.73CX Basic pKa: ┄CX LogP: 4.53CX LogD: 4.53Aromatic Rings: 3Heavy Atoms: 17QED Weighted: 0.49Np Likeness Score: -0.17
References 1. Talaz O, Gülçin I, Göksu S, Saracoglu N.. (2009) Antioxidant activity of 5,10-dihydroindeno[1,2-b]indoles containing substituents on dihydroindeno part., 17 (18): [PMID:19683932 ] [10.1016/j.bmc.2009.07.077 ] 2. Ekinci D, Cavdar H, Durdagi S, Talaz O, Sentürk M, Supuran CT.. (2012) Structure-activity relationships for the interaction of 5,10-dihydroindeno[1,2-b]indole derivatives with human and bovine carbonic anhydrase isoforms I, II, III, IV and VI., 49 [PMID:22245047 ] [10.1016/j.ejmech.2011.12.022 ]