| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3978934
Max Phase: Preclinical
Molecular Formula: C21H25F3N4O3
Molecular Weight: 438.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)OC(=O)/C=C/n1cnc(-c2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)n1
Standard InChI: InChI=1S/C21H25F3N4O3/c1-15(2)31-19(29)5-8-28-14-25-20(26-28)16-11-17(21(22,23)24)13-18(12-16)30-10-9-27-6-3-4-7-27/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3/b8-5+
Standard InChI Key: SYKGZNSAXPOGIB-VMPITWQZSA-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: 438.45 | Molecular Weight (Monoisotopic): 438.1879 | AlogP: 3.86 | #Rotatable Bonds: 8 |
| Polar Surface Area: 69.48 | Molecular Species: BASE | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.86 | CX LogP: 4.32 | CX LogD: 2.84 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.46 | Np Likeness Score: -1.13 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):