| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093538
Max Phase: Preclinical
Molecular Formula: C22H23N3O5S
Molecular Weight: 441.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N=S(=O)(c1ccc2c(c1)OCCO2)N1CC2=C(CN(C(=O)[C@@H](O)c3ccccc3)C2)C1
Standard InChI: InChI=1S/C22H23N3O5S/c23-31(28,18-6-7-19-20(10-18)30-9-8-29-19)25-13-16-11-24(12-17(16)14-25)22(27)21(26)15-4-2-1-3-5-15/h1-7,10,21,23,26H,8-9,11-14H2/t21-,31?/m0/s1
Standard InChI Key: FZAHRVFWRHWROB-FEAGIOCNSA-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: 441.51 | Molecular Weight (Monoisotopic): 441.1358 | AlogP: 1.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 103.16 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.45 | CX Basic pKa: | CX LogP: 0.41 | CX LogD: 0.41 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.71 | Np Likeness Score: -0.50 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):