| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270981
Max Phase: Preclinical
Molecular Formula: C30H20N4O4+2
Molecular Weight: 500.51
Associated Items:
Representations
Canonical SMILES: O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(-c2cc[n+]3c(c2)-c2cccc[n+]2CC3)cc1
Standard InChI: InChI=1S/C30H20N4O4/c35-29-23-5-3-4-22-25(34(37)38)12-11-24(28(22)23)30(36)33(29)21-9-7-19(8-10-21)20-13-15-32-17-16-31-14-2-1-6-26(31)27(32)18-20/h1-15,18H,16-17H2/q+2
Standard InChI Key: BCEPPMUECQUTCD-UHFFFAOYSA-N
Associated Targets(non-human)
Calf thymus DNA 4845 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: 500.51 | Molecular Weight (Monoisotopic): 500.1474 | AlogP: 4.47 | #Rotatable Bonds: 3 |
| Polar Surface Area: 88.28 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -3.85 | CX LogD: -3.85 |
| Aromatic Rings: 5 | Heavy Atoms: 38 | QED Weighted: 0.16 | Np Likeness Score: -0.70 |
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):