| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094678
Max Phase: Preclinical
Molecular Formula: C23H25N3O7S2
Molecular Weight: 519.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)NC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1ccccc1
Standard InChI: InChI=1S/C23H25N3O7S2/c1-34(28,29)24-22(16-5-3-2-4-6-16)23(27)25-12-17-14-26(15-18(17)13-25)35(30,31)19-7-8-20-21(11-19)33-10-9-32-20/h2-8,11,22,24H,9-10,12-15H2,1H3
Standard InChI Key: OXBCXSMZVJAPIE-UHFFFAOYSA-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: 519.60 | Molecular Weight (Monoisotopic): 519.1134 | AlogP: 0.89 | #Rotatable Bonds: 6 |
| Polar Surface Area: 122.32 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.32 | CX Basic pKa: | CX LogP: -0.40 | CX LogD: -0.40 |
| Aromatic Rings: 2 | Heavy Atoms: 35 | QED Weighted: 0.56 | Np Likeness Score: -1.12 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):