Compound Detail
CHEMBL1230309
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Basic Information
| ChEMBL ID | CHEMBL1230309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLSZMDLNRCVEIJ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
82.1
MW (Da)
0.72
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Kd 1 meas. best 2.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP5 CHEMBL2052031 | Kd | 2.54 | 2.54 | 2900000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peptidyl-prolyl cis-trans isomerase FKBP5 | Kd | = | 2900000.0 | nM | 2.54 | Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expr... | 32420743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32420743 | 10.1021/acs.jmedchem.0c00120 | Peptidyl-prolyl cis-trans isomerase FKBP5 | 2 |
| 36105338 | 10.1021/acsmedchemlett.2c00256 | Glutaminyl-peptide cyclotransferase | 1 |
Data from ChEMBL 36 via Core Engine