| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269959
Max Phase: Preclinical
Molecular Formula: C22H32Cl3N5O4
Molecular Weight: 427.51
Associated Items:
Representations
Canonical SMILES: Cl.Cl.Cl.NCCCNCCCCNCCCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O
Standard InChI: InChI=1S/C22H29N5O4.3ClH/c23-8-4-11-24-9-1-2-10-25-12-5-13-26-21(28)18-7-3-6-16-14-17(27(30)31)15-19(20(16)18)22(26)29;;;/h3,6-7,14-15,24-25H,1-2,4-5,8-13,23H2;3*1H
Standard InChI Key: YJIYUGGRIUVCCH-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: 427.51 | Molecular Weight (Monoisotopic): 427.2220 | AlogP: 2.04 | #Rotatable Bonds: 13 |
| Polar Surface Area: 130.60 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.79 | CX LogP: 1.02 | CX LogD: -5.49 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.19 | Np Likeness Score: -0.76 |
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):