| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3198946
Max Phase: Preclinical
Molecular Formula: C19H23N3O2
Molecular Weight: 325.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C(=O)Nc1ccc(C(=O)N/N=C/C2CC3C=CC2C3)cc1
Standard InChI: InChI=1S/C19H23N3O2/c1-12(2)18(23)21-17-7-5-14(6-8-17)19(24)22-20-11-16-10-13-3-4-15(16)9-13/h3-8,11-13,15-16H,9-10H2,1-2H3,(H,21,23)(H,22,24)/b20-11+
Standard InChI Key: WRZUEYJMJKCXGJ-RGVLZGJSSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 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: 325.41 | Molecular Weight (Monoisotopic): 325.1790 | AlogP: 3.21 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.55 | CX Basic pKa: 1.69 | CX LogP: 2.79 | CX LogD: 2.79 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.50 | Np Likeness Score: -1.10 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):