ID: ALA5277676
Chembl Id: CHEMBL5277676
Max Phase: Preclinical
Molecular Formula: C17H16N4O4
Molecular Weight: 340.34
Associated Items:
Canonical SMILES: CCN(N=O)C(=O)NCCN1C(=O)c2cccc3cccc(c23)C1=O
Standard InChI: InChI=1S/C17H16N4O4/c1-2-21(19-25)17(24)18-9-10-20-15(22)12-7-3-5-11-6-4-8-13(14(11)12)16(20)23/h3-8H,2,9-10H2,1H3,(H,18,24)
Standard InChI Key: XARUUMNSOQUITL-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 340.34 | Molecular Weight (Monoisotopic): 340.1172 | AlogP: 2.15 | #Rotatable Bonds: 5 |
| Polar Surface Area: 99.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.98 | CX Basic pKa: | CX LogP: 1.79 | CX LogD: 1.79 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.51 | Np Likeness Score: -0.95 |
| 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] |
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