| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2003865
Max Phase: Preclinical
Molecular Formula: C23H22N4O
Molecular Weight: 370.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCc1cccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c1
Standard InChI: InChI=1S/C23H22N4O/c1-2-17-8-6-9-18(16-17)25-22(28)14-13-21-26-20-12-7-15-24-23(20)27(21)19-10-4-3-5-11-19/h3-12,15-16H,2,13-14H2,1H3,(H,25,28)
Standard InChI Key: YCHPVQVUJKJPQD-UHFFFAOYSA-N
Associated Targets(Human)
DNA dC->dU-editing enzyme APOBEC-3F 14861 Activities
Tyrosyl-DNA phosphodiesterase 1 345557 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 370.46 | Molecular Weight (Monoisotopic): 370.1794 | AlogP: 4.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 59.81 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.44 | CX LogP: 4.63 | CX LogD: 4.63 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.54 | Np Likeness Score: -1.84 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):