| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283092
Max Phase: Preclinical
Molecular Formula: C18H17Cl2N5O2S2
Molecular Weight: 470.41
Associated Items:
Representations
Canonical SMILES: CN(C)CCOc1cccc(NC(=O)c2nnc(Sc3c(Cl)cncc3Cl)s2)c1
Standard InChI: InChI=1S/C18H17Cl2N5O2S2/c1-25(2)6-7-27-12-5-3-4-11(8-12)22-16(26)17-23-24-18(29-17)28-15-13(19)9-21-10-14(15)20/h3-5,8-10H,6-7H2,1-2H3,(H,22,26)
Standard InChI Key: CGJCIBJLDLDORJ-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: 470.41 | Molecular Weight (Monoisotopic): 469.0201 | AlogP: 4.58 | #Rotatable Bonds: 8 |
| 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: 12.75 | CX Basic pKa: 8.76 | CX LogP: 3.94 | CX LogD: 2.57 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.52 | Np Likeness Score: -2.02 |
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):