| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271696
Max Phase: Preclinical
Molecular Formula: C22H35Cl4N5O2
Molecular Weight: 397.52
Associated Items:
Representations
Canonical SMILES: Cl.Cl.Cl.Cl.NCCCNCCCCNCCCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
Standard InChI: InChI=1S/C22H31N5O2.4ClH/c23-8-4-11-25-9-1-2-10-26-12-5-13-27-21(28)18-7-3-6-16-14-17(24)15-19(20(16)18)22(27)29;;;;/h3,6-7,14-15,25-26H,1-2,4-5,8-13,23-24H2;4*1H
Standard InChI Key: UKDWIUBCRWDVKV-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: 397.52 | Molecular Weight (Monoisotopic): 397.2478 | AlogP: 1.72 | #Rotatable Bonds: 12 |
| Polar Surface Area: 113.48 | Molecular Species: BASE | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 10.79 | CX LogP: 0.25 | CX LogD: -6.26 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.25 | Np Likeness Score: -0.44 |
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):