Compound Detail
CHEMBL4447946
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Basic Information
| ChEMBL ID | CHEMBL4447946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRSUHIFVSNTZJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
1.88
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 7.66 | 7.66 | 21.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 21.7 | nM | 7.66 | Inhibition of recombinant human liver soluble epoxide hydrolase expressed in bac... | 31488357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31488357 | 10.1016/j.bmc.2019.115078 | Bifunctional epoxide hydrolase 2 | 2 |
| 31488357 | 10.1016/j.bmc.2019.115078 | ADMET | 1 |
| 31488357 | 10.1016/j.bmc.2019.115078 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine