| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3213135
Max Phase: Preclinical
Molecular Formula: C18H22N2O5S2
Molecular Weight: 410.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(CN2/C(=N/C(=O)C3CC3)SC3CS(=O)(=O)CC32)cc1OC
Standard InChI: InChI=1S/C18H22N2O5S2/c1-24-14-6-3-11(7-15(14)25-2)8-20-13-9-27(22,23)10-16(13)26-18(20)19-17(21)12-4-5-12/h3,6-7,12-13,16H,4-5,8-10H2,1-2H3/b19-18-
Standard InChI Key: PISDFKBJTJLVJV-HNENSFHCSA-N
Associated Targets(Human)
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 410.52 | Molecular Weight (Monoisotopic): 410.0970 | AlogP: 1.71 | #Rotatable Bonds: 5 |
| Polar Surface Area: 85.27 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.89 | CX LogD: 0.89 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.73 | Np Likeness Score: -1.50 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):