| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3983477
Max Phase: Preclinical
Molecular Formula: C12H12ClN3O2S
Molecular Weight: 297.77
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)OC(=O)/C=C\n1cnc(-c2csc(Cl)c2)n1
Standard InChI: InChI=1S/C12H12ClN3O2S/c1-8(2)18-11(17)3-4-16-7-14-12(15-16)9-5-10(13)19-6-9/h3-8H,1-2H3/b4-3-
Standard InChI Key: ZJWVIEHPTNDCCB-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: 297.77 | Molecular Weight (Monoisotopic): 297.0339 | AlogP: 3.08 | #Rotatable Bonds: 4 |
| Polar Surface Area: 57.01 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.67 | CX LogP: 3.56 | CX LogD: 3.56 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.64 | Np Likeness Score: -0.85 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):