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6-(2-Propoxy-phenyl)-3,7-dihydro-imidazo[4,5-g]quinazolin-8-one ID: ALA25391
Chembl Id: CHEMBL25391
PubChem CID: 135525517
Max Phase: Preclinical
Molecular Formula: C18H16N4O2
Molecular Weight: 320.35
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: CCCOc1ccccc1-c1nc(O)c2cc3[nH]cnc3cc2n1
Standard InChI: InChI=1S/C18H16N4O2/c1-2-7-24-16-6-4-3-5-11(16)17-21-13-9-15-14(19-10-20-15)8-12(13)18(23)22-17/h3-6,8-10H,2,7H2,1H3,(H,19,20)(H,21,22,23)
Standard InChI Key: NMWJDNXABGLWBW-UHFFFAOYSA-N
Associated Targets(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: 320.35Molecular Weight (Monoisotopic): 320.1273AlogP: 3.67#Rotatable Bonds: 4Polar Surface Area: 83.92Molecular Species: NEUTRALHBA: 5HBD: 2#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 2#RO5 Violations (Lipinski): ┄CX Acidic pKa: 11.72CX Basic pKa: 5.14CX LogP: 4.08CX LogD: 4.07Aromatic Rings: 4Heavy Atoms: 24QED Weighted: 0.60Np Likeness Score: -1.13
References 1. Rotella DP, Sun Z, Zhu Y, Krupinski J, Pongrac R, Seliger L, Normandin D, Macor JE.. (2000) N-3-substituted imidazoquinazolinones: potent and selective PDE5 inhibitors as potential agents for treatment of erectile dysfunction., 43 (7): [PMID:10753463 ] [10.1021/jm000081+ ]