| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985910
Max Phase: Preclinical
Molecular Formula: C16H15F3N4O3
Molecular Weight: 368.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(-c2ncn(/C=C\C(=O)OC3CNC3)n2)cc(C(F)(F)F)c1
Standard InChI: InChI=1S/C16H15F3N4O3/c1-25-12-5-10(4-11(6-12)16(17,18)19)15-21-9-23(22-15)3-2-14(24)26-13-7-20-8-13/h2-6,9,13,20H,7-8H2,1H3/b3-2-
Standard InChI Key: GOWWQHMCOOJLAY-IHWYPQMZSA-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: 368.32 | Molecular Weight (Monoisotopic): 368.1096 | AlogP: 1.96 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.27 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.36 | CX LogP: 2.66 | CX LogD: 1.65 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.64 | Np Likeness Score: -0.53 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):