| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272934
Max Phase: Preclinical
Molecular Formula: C13H6Cl3N5OS2
Molecular Weight: 418.72
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cccc(Cl)n1)c1nnc(Sc2c(Cl)cncc2Cl)s1
Standard InChI: InChI=1S/C13H6Cl3N5OS2/c14-6-4-17-5-7(15)10(6)23-13-21-20-12(24-13)11(22)19-9-3-1-2-8(16)18-9/h1-5H,(H,18,19,22)
Standard InChI Key: KIOUOEYWCXEZBH-UHFFFAOYSA-N
Associated Targets(Human)
USP7 Tchem 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: 418.72 | Molecular Weight (Monoisotopic): 416.9079 | AlogP: 4.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.66 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.07 | CX Basic pKa: 1.03 | CX LogP: 4.28 | CX LogD: 4.28 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.62 | Np Likeness Score: -1.97 |
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):