ID: ALA5278938
Chembl Id: CHEMBL5278938
Max Phase: Preclinical
Molecular Formula: C19H18N2+2
Molecular Weight: 274.37
Associated Items:
Canonical SMILES: Cc1ccc(-c2cc[n+]3c(c2)-c2cccc[n+]2CC3)cc1
Standard InChI: InChI=1S/C19H18N2/c1-15-5-7-16(8-6-15)17-9-11-21-13-12-20-10-3-2-4-18(20)19(21)14-17/h2-11,14H,12-13H2,1H3/q+2
Standard InChI Key: YQQZJBPJBIUSRP-UHFFFAOYSA-N
| 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: 274.37 | Molecular Weight (Monoisotopic): 274.1459 | AlogP: 2.92 | #Rotatable Bonds: 1 |
| Polar Surface Area: 7.76 | Molecular Species: NEUTRAL | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: -4.87 | CX LogD: -4.87 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.60 | Np Likeness Score: -0.20 |
| 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] |
Source(1):
