Compound Detail
CHEMBL5838303
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CC(C)(C)[S@@+]([O-])N[C@@H]1COCC12CCN(c1cnc(Sc3cccc4c3C(F)(F)C(=O)N4)c(N)n1)CC2
Basic Information
| ChEMBL ID | CHEMBL5838303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJBJZPKOHGGGHD-LUDUKKHASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
552.7
MW (Da)
3.29
ALogP
9
HBA
3
HBD
128.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 CHEMBL3864 | IC50 | 7.67 | 7.67 | 21.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 11 | IC50 | = | 21.4 | nM | 7.67 | Phosphatase Assays: IC50 values were estimated using 6,8-difluoro-4-methylumbell... | - |
Data from ChEMBL 36 via Core Engine