| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271396
Max Phase: Preclinical
Molecular Formula: C20H21N3O3S
Molecular Weight: 383.47
Associated Items:
Representations
Canonical SMILES: CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(NS(C)(=O)=O)c1
Standard InChI: InChI=1S/C20H21N3O3S/c1-3-17-18(13-7-9-16(24)10-8-13)12-22-20(21)19(17)14-5-4-6-15(11-14)23-27(2,25)26/h4-12,23-24H,3H2,1-2H3,(H2,21,22)
Standard InChI Key: YNYNUOSJBIBMRT-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 7 837 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 383.47 | Molecular Weight (Monoisotopic): 383.1304 | AlogP: 3.64 | #Rotatable Bonds: 5 |
| Polar Surface Area: 105.31 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.42 | CX Basic pKa: 6.84 | CX LogP: 2.84 | CX LogD: 2.74 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.62 | Np Likeness Score: -0.54 |
References
| 1. Li P, Liu HM.. (2020) Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors., 191 [PMID:32092586] [10.1016/j.ejmech.2020.112107] |
Source
Source(1):