| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286221
Max Phase: Preclinical
Molecular Formula: C19H16ClN3O2
Molecular Weight: 318.36
Associated Items:
Representations
Canonical SMILES: Nc1ccc2c3c(cccc13)C(=O)N(CC[n+]1ccccc1)C2=O.[Cl-]
Standard InChI: InChI=1S/C19H15N3O2.ClH/c20-16-8-7-15-17-13(16)5-4-6-14(17)18(23)22(19(15)24)12-11-21-9-2-1-3-10-21;/h1-10H,11-12H2,(H-,20,23,24);1H
Standard InChI Key: JPNBWLNOXYXJAK-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: 318.36 | Molecular Weight (Monoisotopic): 318.1237 | AlogP: 2.01 | #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: 2.47 | CX LogP: -2.28 | CX LogD: -2.28 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.46 | Np Likeness Score: -0.43 |
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):