| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269383
Max Phase: Preclinical
Molecular Formula: C19H19Cl2N5O2S2
Molecular Weight: 484.43
Associated Items:
Representations
Canonical SMILES: CN(C)CCCOc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1
Standard InChI: InChI=1S/C19H19Cl2N5O2S2/c1-26(2)8-3-9-28-13-6-4-12(5-7-13)23-17(27)18-24-25-19(30-18)29-16-14(20)10-22-11-15(16)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,27)
Standard InChI Key: SPMCNPTVMIPGTM-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: 484.43 | Molecular Weight (Monoisotopic): 483.0357 | AlogP: 4.97 | #Rotatable Bonds: 9 |
| Polar Surface Area: 80.24 | Molecular Species: BASE | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.86 | CX Basic pKa: 9.26 | CX LogP: 4.00 | CX LogD: 2.15 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.43 | Np Likeness Score: -1.79 |
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):