| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3982070
Max Phase: Preclinical
Molecular Formula: C16H16ClN3O2
Molecular Weight: 317.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C\n1cnc(-c2cccc(Cl)c2)n1)OC1CCCC1
Standard InChI: InChI=1S/C16H16ClN3O2/c17-13-5-3-4-12(10-13)16-18-11-20(19-16)9-8-15(21)22-14-6-1-2-7-14/h3-5,8-11,14H,1-2,6-7H2/b9-8-
Standard InChI Key: LGFBKPOPZKSYDH-HJWRWDBZSA-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: 317.78 | Molecular Weight (Monoisotopic): 317.0931 | AlogP: 3.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 57.01 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.71 | CX LogP: 4.34 | CX LogD: 4.34 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.64 | Np Likeness Score: -0.64 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):