Compound Detail
CHEMBL1818421
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Basic Information
| ChEMBL ID | CHEMBL1818421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLTWMGWHLVAPAS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
3.85
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Epoxide hydrolase B CHEMBL1795155 | IC50 | 4.5 | 4.5 | 31600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 21840723 |
| Epoxide hydrolase B | IC50 | = | 31600.0 | nM | 4.5 | Inhibition of Mycobacterium tuberculosis recombinant EphB expressed in Escherich... | 21840723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21840723 | 10.1016/j.bmc.2011.07.034 | Bifunctional epoxide hydrolase 2 | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Unchecked | 1 |
| 21840723 | 10.1016/j.bmc.2011.07.034 | Epoxide hydrolase B | 1 |
Data from ChEMBL 36 via Core Engine