| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2145350
Max Phase: Preclinical
Molecular Formula: C24H23N3O2
Molecular Weight: 385.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C(=O)Nc2cccc3ncccc23)CCN1C(=O)C1(c2ccccc2)CC1
Standard InChI: InChI=1S/C24H23N3O2/c1-23(21(28)26-20-11-5-10-19-18(20)9-6-15-25-19)14-16-27(23)22(29)24(12-13-24)17-7-3-2-4-8-17/h2-11,15H,12-14,16H2,1H3,(H,26,28)
Standard InChI Key: UFJJKJZYEBKEIS-UHFFFAOYSA-N
Associated Targets(non-human)
Aberrant vpr protein 14595 Activities
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: 385.47 | Molecular Weight (Monoisotopic): 385.1790 | AlogP: 3.90 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.30 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.55 | CX Basic pKa: 4.26 | CX LogP: 3.49 | CX LogD: 3.49 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.74 | Np Likeness Score: -0.90 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):