Compound Detail
CHEMBL192273
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Basic Information
| ChEMBL ID | CHEMBL192273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRFKXRWIBACCCN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.6
MW (Da)
5.99
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.8 | 6.05 | 159.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 50.0 | nM | 7.3 | Inhibitory concentration against mouse soluble epoxide hydrolase (sEH) at 0.12 u... | 15887969 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 159.0 | nM | 6.8 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 22522007 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory concentration against human soluble epoxide hydrolase (sEH) at 0.24 u... | 15887969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15887969 | 10.1021/jm0500929 | Bifunctional epoxide hydrolase 2 | 2 |
| 15887969 | 10.1021/jm0500929 | No relevant target | 2 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Mycobacterium tuberculosis | 1 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine