Compound Detail
CHEMBL1672128
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Basic Information
| ChEMBL ID | CHEMBL1672128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWFJJCPRJHUFIT-QIONWKSUSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
3.47
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL5669 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.33 | 8.26 | 4.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 100.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 100.0 | mL.min-1.g-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 3.02 | nM | 8.52 | Inhibition of rat soluble epoxide hydrolase in cell free system | 21192659 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 4.677 | nM | 8.33 | Inhibition of soluble epoxide hydrolase in human HepG2 cells after 30 mins | 21192659 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 6.457 | nM | 8.19 | 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 |
| 21192659 | 10.1021/jm101273e | Liver microsomes | 2 |
| 21192659 | 10.1021/jm101273e | No relevant target | 1 |
| 21192659 | 10.1021/jm101273e | Cytochrome P450 2C19 | 1 |
Data from ChEMBL 36 via Core Engine