Compound Detail
CHEMBL178884
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Cc1c(Cc2ccccc2)c2cc(S(=O)(=O)O)ccc2n1C(=O)c1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL178884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQWOOSXMVYLBPZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
6.14
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 430.0 | nM | 6.37 | Inhibition of Mycobacterium tuberculosis ptpB | 21420867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15715484 | 10.1021/jm0499099 | T98G | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | Phosphotyrosine-protein phosphatase PTPB | 1 |
| 21420867 | 10.1016/j.bmc.2011.02.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine