| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5285049
Max Phase: Preclinical
Molecular Formula: C19H20Cl2N6OS2
Molecular Weight: 483.45
Associated Items:
Representations
Canonical SMILES: CN(C)CCCNc1ccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)cc1
Standard InChI: InChI=1S/C19H20Cl2N6OS2/c1-27(2)9-3-8-23-12-4-6-13(7-5-12)24-17(28)18-25-26-19(30-18)29-16-14(20)10-22-11-15(16)21/h4-7,10-11,23H,3,8-9H2,1-2H3,(H,24,28)
Standard InChI Key: BTOCRVLBOSDZCL-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: 483.45 | Molecular Weight (Monoisotopic): 482.0517 | AlogP: 5.01 | #Rotatable Bonds: 9 |
| Polar Surface Area: 83.04 | Molecular Species: BASE | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.14 | CX Basic pKa: 9.40 | CX LogP: 3.63 | CX LogD: 1.64 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.41 | Np Likeness Score: -1.81 |
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):