| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986982
Max Phase: Preclinical
Molecular Formula: C14H14ClN3O2
Molecular Weight: 291.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)OC(=O)/C=C\c1n[nH]c(-c2cccc(Cl)c2)n1
Standard InChI: InChI=1S/C14H14ClN3O2/c1-9(2)20-13(19)7-6-12-16-14(18-17-12)10-4-3-5-11(15)8-10/h3-9H,1-2H3,(H,16,17,18)/b7-6-
Standard InChI Key: GKKSBEWRCXTEII-SREVYHEPSA-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: 291.74 | Molecular Weight (Monoisotopic): 291.0775 | AlogP: 3.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 67.87 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.30 | CX Basic pKa: 1.23 | CX LogP: 4.43 | CX LogD: 4.38 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.69 | Np Likeness Score: -0.97 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):