| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282551
Max Phase: Preclinical
Molecular Formula: C16H9Cl2N5OS3
Molecular Weight: 454.39
Associated Items:
Representations
Canonical SMILES: Cc1nc2ccc(NC(=O)c3nnc(Sc4c(Cl)cncc4Cl)s3)cc2s1
Standard InChI: InChI=1S/C16H9Cl2N5OS3/c1-7-20-11-3-2-8(4-12(11)25-7)21-14(24)15-22-23-16(27-15)26-13-9(17)5-19-6-10(13)18/h2-6H,1H3,(H,21,24)
Standard InChI Key: XNAZSRWZWGTCBC-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: 454.39 | Molecular Weight (Monoisotopic): 452.9346 | AlogP: 5.56 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.66 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.43 | CX Basic pKa: 2.98 | CX LogP: 4.34 | CX LogD: 4.34 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.43 | Np Likeness Score: -2.35 |
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):