| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980322
Max Phase: Preclinical
Molecular Formula: C13H11Cl2N3O2
Molecular Weight: 312.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/C=C\n1cnc(-c2cc(Cl)cc(Cl)c2)n1
Standard InChI: InChI=1S/C13H11Cl2N3O2/c1-2-20-12(19)3-4-18-8-16-13(17-18)9-5-10(14)7-11(15)6-9/h3-8H,2H2,1H3/b4-3-
Standard InChI Key: KGVZSNYLMYNZFP-ARJAWSKDSA-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: 312.16 | Molecular Weight (Monoisotopic): 311.0228 | AlogP: 3.29 | #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: 0.70 | CX LogP: 3.98 | CX LogD: 3.98 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.64 | Np Likeness Score: -0.89 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):