| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094541
Max Phase: Preclinical
Molecular Formula: C21H24N2O6S
Molecular Weight: 432.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C([C@@H](O)c1ccccc1)N1CC[C@@H](CNS(=O)(=O)c2ccc3c(c2)OCCO3)C1
Standard InChI: InChI=1S/C21H24N2O6S/c24-20(16-4-2-1-3-5-16)21(25)23-9-8-15(14-23)13-22-30(26,27)17-6-7-18-19(12-17)29-11-10-28-18/h1-7,12,15,20,22,24H,8-11,13-14H2/t15-,20-/m0/s1
Standard InChI Key: GLZQZIBXLCIBMY-YWZLYKJASA-N
Associated Targets(Human)
Probable ubiquitin carboxyl-terminal hydrolase FAF-X 500 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: 432.50 | Molecular Weight (Monoisotopic): 432.1355 | AlogP: 1.32 | #Rotatable Bonds: 6 |
| Polar Surface Area: 105.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.26 | CX Basic pKa: | CX LogP: 0.75 | CX LogD: 0.75 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.71 | Np Likeness Score: -1.30 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):