Compound Detail
CHEMBL1030
4'-HYDROXY-DICLOFENAC Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1030 |
| Name | 4'-HYDROXY-DICLOFENAC |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGVXVPRLBMWZLG-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
312.1
MW (Da)
4.07
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas.
Ki 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha CHEMBL4147 | Ki | 5.7 | 5.69 | 1995.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 1995.26 | nM | 5.7 | Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin) | 35500061 |
| Calcium/calmodulin-dependent protein kinase type II subunit alpha | Ki | = | 2100.0 | nM | 5.68 | Inhibition of [3H]NCS-382 binding to CaMK2alpha (unknown origin) | 35500061 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2118185 | 10.1021/jm00171a008 | No relevant target | 2 |
| 35500061 | 10.1021/acs.jmedchem.1c02177 | Calcium/calmodulin-dependent protein kinase type II subunit alpha | 2 |
| 2118185 | 10.1021/jm00171a008 | Cyclooxygenase | 1 |
| 2118185 | 10.1021/jm00171a008 | Rattus norvegicus | 1 |
| - | 10.1007/s00044-013-0771-5 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine