| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3970946
Max Phase: Preclinical
Molecular Formula: C13H12ClN3O3
Molecular Weight: 293.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)/C=C\n1cnc(-c2cc(Cl)cc(OC)c2)n1
Standard InChI: InChI=1S/C13H12ClN3O3/c1-19-11-6-9(5-10(14)7-11)13-15-8-17(16-13)4-3-12(18)20-2/h3-8H,1-2H3/b4-3-
Standard InChI Key: CVEBPYHHYUVREW-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: 293.71 | Molecular Weight (Monoisotopic): 293.0567 | AlogP: 2.25 | #Rotatable Bonds: 4 |
| 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: 2.87 | CX LogD: 2.87 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.64 | Np Likeness Score: -0.74 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):