Compound Detail
CHEMBL1231350
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Basic Information
| ChEMBL ID | CHEMBL1231350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMWOUSYSNFCKAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
1.95
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein phosphatase YopH CHEMBL5835 | IC50 | 4.22 | 4.22 | 60000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase YopH | IC50 | = | 60000.0 | nM | 4.22 | Inhibition of Yersinia pseudotuberculosis YopH | 22133902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22133902 | 10.1016/j.bmc.2011.11.004 | Tyrosine-protein phosphatase YopH | 1 |
Data from ChEMBL 36 via Core Engine