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

Alternative Forms

  1. Parent:

    ALA25391

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Associated Targets(Human)

PDE5A Tclin Phosphodiesterase 5A (5113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PDE5A Tclin Phosphodiesterase 3 and 5 (PDE3 and PDE5) (91 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 320.35Molecular Weight (Monoisotopic): 320.1273AlogP: 3.67#Rotatable Bonds: 4
Polar 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: 4.07
Aromatic 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+]

Source