| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3980512
Max Phase: Preclinical
Molecular Formula: C17H12Cl2N4O
Molecular Weight: 359.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/n1cnc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1
Standard InChI: InChI=1S/C17H12Cl2N4O/c18-13-4-1-3-12(9-13)17-20-11-23(22-17)8-7-16(24)21-15-6-2-5-14(19)10-15/h1-11H,(H,21,24)/b8-7+
Standard InChI Key: RDOUAVHSGMOJNR-BQYQJAHWSA-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: 359.22 | Molecular Weight (Monoisotopic): 358.0388 | AlogP: 4.36 | #Rotatable Bonds: 4 |
| Polar Surface Area: 59.81 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.99 | CX Basic pKa: 0.71 | CX LogP: 4.56 | CX LogD: 4.56 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.70 | Np Likeness Score: -1.51 |
References
| 1. (2011) Nuclear transport modulators and uses thereof, |
Source
Source(1):