Compound Detail
CHEMBL1765362
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Basic Information
| ChEMBL ID | CHEMBL1765362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDHWIVUIANFBPK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
6.91
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.66
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Phosphotyrosine-protein phosphatase PTPB CHEMBL4540 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphotyrosine-protein phosphatase PTPB | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Mycobacterium tuberculosis ptpB | 21420867 |
| Phosphotyrosine-protein phosphatase PTPB | Ki | = | 220.0 | nM | 6.66 | Competitive inhibition of Mycobacterium tuberculosis H37Rv PTP-B expressed in Es... | 22136336 |
| Unchecked | Ki | = | 220.0 | nM | 6.66 | Inhibition of Mycobacterium tuberculosis PtpB | 23927683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21420867 | 10.1016/j.bmc.2011.02.047 | Phosphotyrosine-protein phosphatase PTPB | 1 |
| 22136336 | 10.1021/jm2012062 | Phosphotyrosine-protein phosphatase PTPB | 1 |
| 23927683 | 10.1021/jm400381v | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine