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N-(4-fluorophenyl)-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
ID: ALA5269910
Chembl Id: CHEMBL5269910
Max Phase: Preclinical
Molecular Formula: C18H13FN2O2
Molecular Weight: 308.31
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(Nc1ccc(F)cc1)c1cc2cccc3c2n(c1=O)CC3
Standard InChI: InChI=1S/C18H13FN2O2/c19-13-4-6-14(7-5-13)20-17(22)15-10-12-3-1-2-11-8-9-21(16(11)12)18(15)23/h1-7,10H,8-9H2,(H,20,22)
Standard InChI Key: NQJRDSPPDLFGOL-UHFFFAOYSA-N
Associated Targets(Human)
Molecule Features
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Drug Indications
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Calculated Properties
Molecular Weight: 308.31 | Molecular Weight (Monoisotopic): 308.0961 | AlogP: 2.95 | #Rotatable Bonds: 2 |
Polar Surface Area: 51.10 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
#RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 13.50 | CX Basic pKa: ┄ | CX LogP: 2.67 | CX LogD: 2.67 |
Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.79 | Np Likeness Score: -1.45 |