| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274155
Max Phase: Preclinical
Molecular Formula: C23H35Cl3N4O2
Molecular Weight: 396.54
Associated Items:
Representations
Canonical SMILES: Cl.Cl.Cl.NCCCCNCCCCNCCCN1C(=O)c2cccc3cccc(c23)C1=O
Standard InChI: InChI=1S/C23H32N4O2.3ClH/c24-12-1-2-13-25-14-3-4-15-26-16-7-17-27-22(28)19-10-5-8-18-9-6-11-20(21(18)19)23(27)29;;;/h5-6,8-11,25-26H,1-4,7,12-17,24H2;3*1H
Standard InChI Key: NTAYLTNWOHWIHS-UHFFFAOYSA-N
Associated Targets(Human)
Bel-7402 4577 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: 396.54 | Molecular Weight (Monoisotopic): 396.2525 | AlogP: 2.52 | #Rotatable Bonds: 13 |
| Polar Surface Area: 87.46 | Molecular Species: BASE | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 11.01 | CX LogP: 1.60 | CX LogD: -6.84 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.36 | 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):