| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5285137
Max Phase: Preclinical
Molecular Formula: C15H11Cl2N5O3S3
Molecular Weight: 476.39
Associated Items:
Representations
Canonical SMILES: CNS(=O)(=O)c1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1
Standard InChI: InChI=1S/C15H11Cl2N5O3S3/c1-18-28(24,25)9-4-2-8(3-5-9)20-13(23)14-21-22-15(27-14)26-12-10(16)6-19-7-11(12)17/h2-7,18H,1H3,(H,20,23)
Standard InChI Key: KJAGGVMTQAJXHA-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: 476.39 | Molecular Weight (Monoisotopic): 474.9401 | AlogP: 3.55 | #Rotatable Bonds: 6 |
| Polar Surface Area: 113.94 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.21 | CX Basic pKa: 1.03 | CX LogP: 2.91 | CX LogD: 2.91 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.56 | Np Likeness Score: -2.13 |
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):