| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3987137
Max Phase: Preclinical
Molecular Formula: C17H20ClN3O3
Molecular Weight: 349.82
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)OC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC(C)C)c2)n1
Standard InChI: InChI=1S/C17H20ClN3O3/c1-11(2)23-15-8-13(7-14(18)9-15)17-19-10-21(20-17)6-5-16(22)24-12(3)4/h5-12H,1-4H3/b6-5-
Standard InChI Key: KCCWBQGTDHBLEJ-WAYWQWQTSA-N
Associated Targets(Human)
Exportin-1 375 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: 349.82 | Molecular Weight (Monoisotopic): 349.1193 | AlogP: 3.81 | #Rotatable Bonds: 6 |
| Polar Surface Area: 66.24 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.70 | CX LogP: 4.39 | CX LogD: 4.39 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.59 | Np Likeness Score: -0.89 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):