Compound Detail
CHEMBL12193
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Basic Information
| ChEMBL ID | CHEMBL12193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUWHAWMETYGRKB-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
99.1
MW (Da)
0.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 3.84
IC50 1 meas.
Kd 1 meas. best 2.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Ki | 3.84 | 3.84 | 146000.0 | 1 |
| Peptidyl-prolyl cis-trans isomerase FKBP5 CHEMBL2052031 | Kd | 2.55 | 2.55 | 2800000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Ki | = | 146000.0 | nM | 3.84 | Binding affinity to CRBN (unknown origin) assessed as inhibition constant by FRE... | 36821822 |
| Peptidyl-prolyl cis-trans isomerase FKBP5 | Kd | = | 2800000.0 | nM | 2.55 | Binding affinity to 15N-labeled FKBP51 (1 to 140 residues) (unknown origin) expr... | 32420743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6945436 | 10.1021/jm00141a016 | Erythroleukemia cell line | 4 |
| 7837228 | 10.1021/jm00001a022 | No relevant target | 2 |
| 9016327 | 10.1021/jm960561u | Mus musculus | 2 |
| 11063627 | 10.1021/jm000921k | ADMET | 2 |
| 32420743 | 10.1021/acs.jmedchem.0c00120 | Peptidyl-prolyl cis-trans isomerase FKBP5 | 2 |
| 6343601 | 10.1021/jm00360a024 | Alcohol dehydrogenase | 1 |
| 9016327 | 10.1021/jm960561u | ADMET | 1 |
| 9016327 | 10.1021/jm960561u | GABA-A receptor; anion channel | 1 |
| 36821822 | 10.1021/acs.jmedchem.2c01882 | Protein cereblon | 1 |
Data from ChEMBL 36 via Core Engine