Compound Detail
CHEMBL15967
PYRAZOLE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL15967 |
| Name | PYRAZOLE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
68.1
MW (Da)
0.41
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.01
Kd 1 meas. best 6.7
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alcohol dehydrogenase CHEMBL2111372 | Kd | 6.7 | 6.7 | 200.0 | 1 |
| Alcohol dehydrogenase CHEMBL2111372 | Ki | 5.73 | 5.73 | 1862.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.01 | 5.01 | 9800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alcohol dehydrogenase | Kd | = | 200.0 | nM | 6.7 | Inhibition of horse liver alcohol dehydrogenase using ethanol as substrate asses... | 219196 |
| Alcohol dehydrogenase | Ki | = | 1862.09 | nM | 5.73 | Inhibitory activity against horse liver alcohol dehydrogenase (ADH) | 2939242 |
| Unchecked | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of Sprague-Dawley rat cytosolic alcohol dehydrogenase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22917519 | 10.1016/j.bmcl.2012.07.091 | Lysine-specific demethylase 4C | 2 |
| 219196 | 10.1021/jm00190a005 | Alcohol dehydrogenase | 2 |
| 2939242 | 10.1021/jm00155a005 | Alcohol dehydrogenase | 1 |
| 2939242 | 10.1021/jm00155a005 | No relevant target | 1 |
| 7199089 | 10.1021/jm00142a006 | Thromboxane-A synthase | 1 |
| - | 10.1021/np9703104 | Unchecked | 1 |
| 22533875 | 10.1021/jm300343m | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine