Compound Detail
CHEMBL5564982
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Basic Information
| ChEMBL ID | CHEMBL5564982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMYPBCLHMXJGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.39
ALogP
7
HBA
1
HBD
105.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP5 CHEMBL2052031 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase FKBP4 CHEMBL4050 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP5 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of GST-tagged human FKBP51 expressed in Escherichia coli BL21 (DE3) u... | 38579621 |
| Peptidyl-prolyl cis-trans isomerase FKBP4 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of GST-tagged human FKBP52 expressed in Escherichia coli BL21 (DE3) u... | 38579621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38579621 | 10.1016/j.ejmech.2024.116356 | Peptidyl-prolyl cis-trans isomerase FKBP5 | 1 |
| 38579621 | 10.1016/j.ejmech.2024.116356 | Peptidyl-prolyl cis-trans isomerase FKBP4 | 1 |
Data from ChEMBL 36 via Core Engine