Compound Detail
CHEMBL1818401
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Basic Information
| ChEMBL ID | CHEMBL1818401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVWMWFOPTTYSNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.69
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 21840723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21840723 | 10.1016/j.bmc.2011.07.034 | Escherichia coli | 2 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Klebsiella pneumoniae | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Pseudomonas aeruginosa | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Staphylococcus aureus | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Bacillus anthracis | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Enterococcus faecalis | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Enterococcus faecium | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Bifunctional epoxide hydrolase 2 | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Hydrolase, alpha/beta hydrolase fold family | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Epoxide hydrolase B | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Vero | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Mycobacterium tuberculosis | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Mycolicibacterium smegmatis | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine