Compound Detail
CHEMBL5220166
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CN1C(=O)C(=Cc2cc(-c3cc(Cl)c(O)c(Cl)c3)ccc2OCc2ccc(Cl)cc2)C(=O)N(C)C1=S
Basic Information
| ChEMBL ID | CHEMBL5220166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGKFCHPCQBBSKS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
561.9
MW (Da)
6.20
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 4.85 | 4.85 | 14130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 14130.0 | nM | 4.85 | Inhibition of recombinant Mycobacterium tuberculosis H37Rv MptpB using pNPP as s... | 36150342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36150342 | 10.1016/j.bmc.2022.117006 | Phosphotyrosine-protein phosphatase PTPB | 2 |
Data from ChEMBL 36 via Core Engine