ID: ALA5271150
Chembl Id: CHEMBL5271150
Max Phase: Preclinical
Molecular Formula: C22H21N3O2
Molecular Weight: 359.43
Associated Items:
Canonical SMILES: O=C1c2cccc3cccc(c23)C(=O)N1CCCCNCc1ccccn1
Standard InChI: InChI=1S/C22H21N3O2/c26-21-18-10-5-7-16-8-6-11-19(20(16)18)22(27)25(21)14-4-3-12-23-15-17-9-1-2-13-24-17/h1-2,5-11,13,23H,3-4,12,14-15H2
Standard InChI Key: RLTONIHYJLPYOB-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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: 359.43 | Molecular Weight (Monoisotopic): 359.1634 | AlogP: 3.40 | #Rotatable Bonds: 7 |
| Polar Surface Area: 62.30 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 8.52 | CX LogP: 2.71 | CX LogD: 1.56 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.52 | Np Likeness Score: -1.25 |
| 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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