ID: ALA5281253
Chembl Id: CHEMBL5281253
Max Phase: Preclinical
Molecular Formula: C19H15ClN2O2
Molecular Weight: 303.34
Associated Items:
Canonical SMILES: O=C1c2cccc3cccc(c23)C(=O)N1CC[n+]1ccccc1.[Cl-]
Standard InChI: InChI=1S/C19H15N2O2.ClH/c22-18-15-8-4-6-14-7-5-9-16(17(14)15)19(23)21(18)13-12-20-10-2-1-3-11-20;/h1-11H,12-13H2;1H/q+1;/p-1
Standard InChI Key: BETWXUGDBIZKAL-UHFFFAOYSA-M
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 303.34 | Molecular Weight (Monoisotopic): 303.1128 | AlogP: 2.42 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.26 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: -1.45 | CX LogD: -1.45 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.55 | Np Likeness Score: -0.46 |
| 1. Tomczyk MD, Walczak KZ.. (2018) l,8-Naphthalimide based DNA intercalators and anticancer agents. A systematic review from 2007 to 2017., 159 [PMID:30312931] [10.1016/j.ejmech.2018.09.055] |
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