| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271612
Max Phase: Preclinical
Molecular Formula: C26H31N5O5
Molecular Weight: 493.56
Associated Items:
Representations
Canonical SMILES: Cc1ccc(OCC(=O)Nc2cc3c(=O)n(CC4(O)CCN(C(=O)C5CC5)CC4)cnn3c2)cc1C
Standard InChI: InChI=1S/C26H31N5O5/c1-17-3-6-21(11-18(17)2)36-14-23(32)28-20-12-22-25(34)30(16-27-31(22)13-20)15-26(35)7-9-29(10-8-26)24(33)19-4-5-19/h3,6,11-13,16,19,35H,4-5,7-10,14-15H2,1-2H3,(H,28,32)
Standard InChI Key: WFVWZUCUOYEACB-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: 493.56 | Molecular Weight (Monoisotopic): 493.2325 | AlogP: 1.89 | #Rotatable Bonds: 7 |
| Polar Surface Area: 118.17 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.30 | CX Basic pKa: 0.17 | CX LogP: 0.82 | CX LogD: 0.82 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.52 | Np Likeness Score: -1.45 |
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):