| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3975270
Max Phase: Preclinical
Molecular Formula: C19H23F3N4O3
Molecular Weight: 412.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)OC(=O)/C=C\n1cnc(-c2cc(OCCN(C)C)cc(C(F)(F)F)c2)n1
Standard InChI: InChI=1S/C19H23F3N4O3/c1-13(2)29-17(27)5-6-26-12-23-18(24-26)14-9-15(19(20,21)22)11-16(10-14)28-8-7-25(3)4/h5-6,9-13H,7-8H2,1-4H3/b6-5-
Standard InChI Key: FBDMJEQMMRUJJV-WAYWQWQTSA-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: 412.41 | Molecular Weight (Monoisotopic): 412.1722 | AlogP: 3.33 | #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: 8.72 | CX LogP: 3.94 | CX LogD: 2.61 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.49 | Np Likeness Score: -1.04 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):