| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282532
Max Phase: Preclinical
Molecular Formula: C12H5N3O2
Molecular Weight: 223.19
Associated Items:
Representations
Canonical SMILES: N#Cc1nc2c(nc1O)-c1ccccc1C2=O
Standard InChI: InChI=1S/C12H5N3O2/c13-5-8-12(17)15-9-6-3-1-2-4-7(6)11(16)10(9)14-8/h1-4H,(H,15,17)
Standard InChI Key: TYBCVYRWTFEZDR-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 7 837 Activities
Ubiquitin carboxyl-terminal hydrolase 8 245 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 223.19 | Molecular Weight (Monoisotopic): 223.0382 | AlogP: 1.27 | #Rotatable Bonds: 0 |
| Polar Surface Area: 86.87 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.04 | CX Basic pKa: | CX LogP: 1.98 | CX LogD: 1.89 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.62 | Np Likeness Score: -0.41 |
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):