| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986064
Max Phase: Preclinical
Molecular Formula: C20H18F3N5O3
Molecular Weight: 433.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1cc(-c2ncn(/C=C\C(=O)OCc3ccccn3)n2)cc(C(F)(F)F)n1
Standard InChI: InChI=1S/C20H18F3N5O3/c1-13(2)31-17-10-14(9-16(26-17)20(21,22)23)19-25-12-28(27-19)8-6-18(29)30-11-15-5-3-4-7-24-15/h3-10,12-13H,11H2,1-2H3/b8-6-
Standard InChI Key: RDCUMSWBRMGXEE-VURMDHGXSA-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: 433.39 | Molecular Weight (Monoisotopic): 433.1362 | AlogP: 3.76 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.02 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.78 | CX LogP: 4.37 | CX LogD: 4.37 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.41 | Np Likeness Score: -1.28 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):