| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281781
Max Phase: Preclinical
Molecular Formula: C21H20N4O
Molecular Weight: 344.42
Associated Items:
Representations
Canonical SMILES: CCc1c(-c2cccc3nn(C)cc23)cnc(N)c1-c1ccc(O)cc1
Standard InChI: InChI=1S/C21H20N4O/c1-3-15-17(16-5-4-6-19-18(16)12-25(2)24-19)11-23-21(22)20(15)13-7-9-14(26)10-8-13/h4-12,26H,3H2,1-2H3,(H2,22,23)
Standard InChI Key: UZLQEHOMOMNUQA-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: 344.42 | Molecular Weight (Monoisotopic): 344.1637 | AlogP: 4.15 | #Rotatable Bonds: 3 |
| Polar Surface Area: 76.96 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.76 | CX Basic pKa: 6.80 | CX LogP: 4.27 | CX LogD: 4.18 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.59 | Np Likeness Score: -0.34 |
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):