| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278652
Max Phase: Preclinical
Molecular Formula: C20H14N2O4
Molecular Weight: 346.34
Associated Items:
Representations
Canonical SMILES: COc1cccc(/C=N/N2C(=O)c3cccc4cccc(c34)C2=O)c1O
Standard InChI: InChI=1S/C20H14N2O4/c1-26-16-10-4-7-13(18(16)23)11-21-22-19(24)14-8-2-5-12-6-3-9-15(17(12)14)20(22)25/h2-11,23H,1H3/b21-11+
Standard InChI Key: PTOBQOTVXAVVTH-SRZZPIQSSA-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: 346.34 | Molecular Weight (Monoisotopic): 346.0954 | AlogP: 3.18 | #Rotatable Bonds: 3 |
| 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: 9.25 | CX Basic pKa: | CX LogP: 3.36 | CX LogD: 3.35 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.58 | Np Likeness Score: -0.50 |
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):