| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271129
Max Phase: Preclinical
Molecular Formula: C19H19Cl2N5O3S2
Molecular Weight: 500.43
Associated Items:
Representations
Canonical SMILES: CN(C)CC(O)COc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1
Standard InChI: InChI=1S/C19H19Cl2N5O3S2/c1-26(2)9-12(27)10-29-13-5-3-11(4-6-13)23-17(28)18-24-25-19(31-18)30-16-14(20)7-22-8-15(16)21/h3-8,12,27H,9-10H2,1-2H3,(H,23,28)
Standard InChI Key: LHNDWXTVINOWDI-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: 500.43 | Molecular Weight (Monoisotopic): 499.0306 | AlogP: 3.94 | #Rotatable Bonds: 9 |
| Polar Surface Area: 100.47 | Molecular Species: BASE | HBA: 9 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.83 | CX Basic pKa: 8.70 | CX LogP: 3.31 | CX LogD: 1.99 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.46 | Np Likeness Score: -1.75 |
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):