| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4637077
Max Phase: Preclinical
Molecular Formula: C6H5NOS2
Molecular Weight: 171.25
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc2cnsc2s1
Standard InChI: InChI=1S/C6H5NOS2/c1-8-5-2-4-3-7-10-6(4)9-5/h2-3H,1H3
Standard InChI Key: FQHSOLRPCSGPAQ-UHFFFAOYSA-N
Associated Targets(Human)
Exportin-1 375 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 171.25 | Molecular Weight (Monoisotopic): 170.9813 | AlogP: 2.37 | #Rotatable Bonds: 1 |
| Polar Surface Area: 22.12 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.85 | CX LogP: 2.18 | CX LogD: 2.18 |
| Aromatic Rings: 2 | Heavy Atoms: 10 | QED Weighted: 0.66 | Np Likeness Score: -0.56 |
References
| 1. Shaikhqasem A, Dickmanns A, Neumann P, Ficner R.. (2020) Characterization of Inhibition Reveals Distinctive Properties for Human and Saccharomyces cerevisiae CRM1., 63 (14): [PMID:32585100] [10.1021/acs.jmedchem.0c00143] |
Source
Source(1):