Compound Detail
CHEMBL5879085
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Basic Information
| ChEMBL ID | CHEMBL5879085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VADYRBIKCJDUIN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.2
MW (Da)
5.41
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | Ki | 8.71 | 8.71 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | Ki | = | 1.95 | nM | 8.71 | FRET-displacement assay: FRET assays to determine Ki for the compounds of Table ... | - |
| Bifunctional epoxide hydrolase 2 | Ki | = | 1.95 | nM | 8.71 | Assays for Epoxide Hydrolase Activity: Any of a number of standard assays for de... | - |
Data from ChEMBL 36 via Core Engine