| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280694
Max Phase: Preclinical
Molecular Formula: C19H24N4O2
Molecular Weight: 340.43
Associated Items:
Representations
Canonical SMILES: CN(C)CCCN1C(=O)c2cccc3c(NCCN)ccc(c23)C1=O
Standard InChI: InChI=1S/C19H24N4O2/c1-22(2)11-4-12-23-18(24)14-6-3-5-13-16(21-10-9-20)8-7-15(17(13)14)19(23)25/h3,5-8,21H,4,9-12,20H2,1-2H3
Standard InChI Key: WRBSXIJWUUXMRA-UHFFFAOYSA-N
Associated Targets(Human)
MCF7 126967 Activities
Associated Targets(non-human)
Calf thymus DNA 4845 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 340.43 | Molecular Weight (Monoisotopic): 340.1899 | AlogP: 1.76 | #Rotatable Bonds: 7 |
| Polar Surface Area: 78.67 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.79 | CX LogP: 0.66 | CX LogD: -3.39 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.75 | Np Likeness Score: -1.14 |
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):