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ID: ALA1495624
Max Phase: Preclinical
Molecular Formula: C20H18N2O2
Molecular Weight: 318.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4(C)C3=O)cccc12
Standard InChI: InChI=1S/C20H18N2O2/c1-11-8-9-21-17-14(11)4-3-5-15(17)22-18(23)16-12-6-7-13(10-12)20(16,2)19(22)24/h3-9,12-13,16H,10H2,1-2H3
Standard InChI Key: JQBCHOWMNYKZNR-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 318.38 | Molecular Weight (Monoisotopic): 318.1368 | AlogP: 3.24 | #Rotatable Bonds: 1 |
| Polar Surface Area: 50.27 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.95 | CX LogP: 2.93 | CX LogD: 2.93 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: 0.24 |
References
| 1. PubChem BioAssay data set, |
