| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276109
Max Phase: Preclinical
Molecular Formula: C22H32BrCl3N4O2
Molecular Weight: 461.40
Associated Items:
Representations
Canonical SMILES: Cl.Cl.Cl.NCCCNCCCCNCCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O
Standard InChI: InChI=1S/C22H29BrN4O2.3ClH/c23-19-9-8-18-20-16(19)6-3-7-17(20)21(28)27(22(18)29)15-5-14-26-12-2-1-11-25-13-4-10-24;;;/h3,6-9,25-26H,1-2,4-5,10-15,24H2;3*1H
Standard InChI Key: YQYPNDZTXRVLTP-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: 461.40 | Molecular Weight (Monoisotopic): 460.1474 | AlogP: 2.90 | #Rotatable Bonds: 12 |
| 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: 10.79 | CX LogP: 1.85 | CX LogD: -4.66 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.33 | Np Likeness Score: -0.59 |
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):