Compound Detail
CHEMBL512908
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Basic Information
| ChEMBL ID | CHEMBL512908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTCGQAJWZRCLRP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.71
ALogP
5
HBA
0
HBD
103.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Kd 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PH domain leucine-rich repeat-containing protein phosphatase 2 CHEMBL1275209 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.43 | 4.43 | 37110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PH domain leucine-rich repeat-containing protein phosphatase 2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of PHLPP2 phosphatase domain expressed in Escherichia coli | 20836557 |
| Unchecked | Kd | = | 37110.0 | nM | 4.43 | Binding affinity to Mycobacterium tuberculosis APS reductase | 18855373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18855373 | 10.1021/jm800571m | Unchecked | 2 |
| 20836557 | 10.1021/jm100331d | PH domain leucine-rich repeat-containing protein phosphatase 2 | 1 |
| 20836557 | 10.1021/jm100331d | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine