| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266241
Max Phase: Preclinical
Molecular Formula: C23H23N3O2
Molecular Weight: 373.46
Associated Items:
Representations
Canonical SMILES: CCc1c(-c2ccc(C(=O)NC3CC3)cc2)cnc(N)c1-c1ccc(O)cc1
Standard InChI: InChI=1S/C23H23N3O2/c1-2-19-20(13-25-22(24)21(19)15-7-11-18(27)12-8-15)14-3-5-16(6-4-14)23(28)26-17-9-10-17/h3-8,11-13,17,27H,2,9-10H2,1H3,(H2,24,25)(H,26,28)
Standard InChI Key: HUPJOOTYKTWNIN-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: 373.46 | Molecular Weight (Monoisotopic): 373.1790 | AlogP: 4.16 | #Rotatable Bonds: 5 |
| Polar Surface Area: 88.24 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.76 | CX Basic pKa: 6.84 | CX LogP: 4.01 | CX LogD: 3.91 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.63 | Np Likeness Score: -0.29 |
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):