Compound Detail
CHEMBL2236348
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Basic Information
| ChEMBL ID | CHEMBL2236348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZERXFZLQUSBAG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.2
MW (Da)
3.58
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 5.46 | 5.46 | 3440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 3440.0 | nM | 5.46 | Inhibition of microsomal epoxide hydrolase (unknown origin) using 7-(2-(Oxiran-2... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9953-1 | Epoxide hydrolase 1 | 1 |
| 30711311 | 10.1016/j.bmc.2019.01.023 | Fructose-bisphosphate aldolase class 2 | 1 |
Data from ChEMBL 36 via Core Engine