| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282729
Max Phase: Preclinical
Molecular Formula: C17H9Cl2N3O3S3
Molecular Weight: 470.38
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cnc(Sc2c(Cl)cncc2Cl)s1
Standard InChI: InChI=1S/C17H9Cl2N3O3S3/c18-11-6-20-7-12(19)15(11)27-17-21-8-13(26-17)16(23)22-10-2-1-9-3-4-28(24,25)14(9)5-10/h1-8H,(H,22,23)
Standard InChI Key: RAPSCYKJXSCUQW-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: 470.38 | Molecular Weight (Monoisotopic): 468.9183 | AlogP: 5.01 | #Rotatable Bonds: 4 |
| Polar Surface Area: 89.02 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.76 | CX Basic pKa: 1.13 | CX LogP: 3.92 | CX LogD: 3.92 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.58 | Np Likeness Score: -1.27 |
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):