| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272101
Max Phase: Preclinical
Molecular Formula: C20H18ClN3O2
Molecular Weight: 332.38
Associated Items:
Representations
Canonical SMILES: C[n+]1ccc(CCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)cc1.[Cl-]
Standard InChI: InChI=1S/C20H17N3O2.ClH/c1-22-10-7-13(8-11-22)9-12-23-19(24)15-4-2-3-14-17(21)6-5-16(18(14)15)20(23)25;/h2-8,10-11H,9,12H2,1H3,(H-,21,24,25);1H
Standard InChI Key: VZQPIWCUOHUOGA-UHFFFAOYSA-N
Associated Targets(non-human)
Salmon testes DNA 254 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 332.38 | Molecular Weight (Monoisotopic): 332.1394 | AlogP: 2.09 | #Rotatable Bonds: 3 |
| Polar Surface Area: 67.28 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.58 | CX LogP: -2.07 | CX LogD: -2.07 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.45 | Np Likeness Score: -0.51 |
References
| 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
Source(1):