| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267629
Max Phase: Preclinical
Molecular Formula: C17H9Cl2N5OS2
Molecular Weight: 434.33
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cnc2ccccc2c1)c1nnc(Sc2c(Cl)cncc2Cl)s1
Standard InChI: InChI=1S/C17H9Cl2N5OS2/c18-11-7-20-8-12(19)14(11)26-17-24-23-16(27-17)15(25)22-10-5-9-3-1-2-4-13(9)21-6-10/h1-8H,(H,22,25)
Standard InChI Key: LAJQURHKNUVBFS-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: 434.33 | Molecular Weight (Monoisotopic): 432.9626 | AlogP: 5.19 | #Rotatable Bonds: 4 |
| Polar Surface Area: 80.66 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.01 | CX Basic pKa: 3.61 | CX LogP: 4.24 | CX LogD: 4.24 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.48 | Np Likeness Score: -1.98 |
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):