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6-Bromo-7-butyl-benzo[4,5]imidazo[1,2-a]pyridine-8,9-dione ID: ALA2270351
Chembl Id: CHEMBL2270351
PubChem CID: 76312436
Max Phase: Preclinical
Molecular Formula: C15H13BrN2O2
Molecular Weight: 333.19
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCCC1=C(Br)c2nc3ccccn3c2C(=O)C1=O
Standard InChI: InChI=1S/C15H13BrN2O2/c1-2-3-6-9-11(16)12-13(15(20)14(9)19)18-8-5-4-7-10(18)17-12/h4-5,7-8H,2-3,6H2,1H3
Standard InChI Key: MMRDEBKENNTBTP-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: 333.19Molecular Weight (Monoisotopic): 332.0160AlogP: 3.40#Rotatable Bonds: 3Polar Surface Area: 51.44Molecular Species: NEUTRALHBA: 4HBD: 0#RO5 Violations: 0HBA (Lipinski): 4HBD (Lipinski): 0#RO5 Violations (Lipinski): 0CX Acidic pKa: CX Basic pKa: 3.22CX LogP: 3.35CX LogD: 3.35Aromatic Rings: 2Heavy Atoms: 20QED Weighted: 0.81Np Likeness Score: -0.77