Compound Detail
CHEMBL1615212
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Basic Information
| ChEMBL ID | CHEMBL1615212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPFFDFASGIBGIP-CVEARBPZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
2.84
ALogP
2
HBA
1
HBD
52.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.25 | 6.25 | 562.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 565.0 | nM | 6.25 | Inhibition of human soluble epoxide hydrolase in cell free system | 21192659 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 562.34 | nM | 6.25 | Inhibition of human soluble epoxide hydrolase in cell free system | 21192659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21192659 | 10.1021/jm101273e | Bifunctional epoxide hydrolase 2 | 3 |
Data from ChEMBL 36 via Core Engine