| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5268505
Max Phase: Preclinical
Molecular Formula: C21H16N2O4
Molecular Weight: 360.37
Associated Items:
Representations
Canonical SMILES: CCOc1cc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)ccc1O
Standard InChI: InChI=1S/C21H16N2O4/c1-2-27-18-11-13(9-10-17(18)24)12-22-23-20(25)15-7-3-5-14-6-4-8-16(19(14)15)21(23)26/h3-12,24H,2H2,1H3/b22-12+
Standard InChI Key: BJFBJLFGRHPDPF-WSDLNYQXSA-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: 360.37 | Molecular Weight (Monoisotopic): 360.1110 | AlogP: 3.57 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.20 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.56 | CX Basic pKa: | CX LogP: 3.72 | CX LogD: 3.71 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: -0.48 |
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):