| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267548
Max Phase: Preclinical
Molecular Formula: C16H15BrF3NO2
Molecular Weight: 390.20
Associated Items:
Representations
Canonical SMILES: OCCNCc1cc(Br)ccc1OCc1cc(F)c(F)cc1F
Standard InChI: InChI=1S/C16H15BrF3NO2/c17-12-1-2-16(10(5-12)8-21-3-4-22)23-9-11-6-14(19)15(20)7-13(11)18/h1-2,5-7,21-22H,3-4,8-9H2
Standard InChI Key: WNDGMADQNQLFGN-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 28 268 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: 390.20 | Molecular Weight (Monoisotopic): 389.0238 | AlogP: 3.53 | #Rotatable Bonds: 7 |
| Polar Surface Area: 41.49 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.15 | CX LogP: 3.61 | CX LogD: 2.79 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.56 | Np Likeness Score: -1.09 |
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):