Compound Detail
CHEMBL3099591
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Basic Information
| ChEMBL ID | CHEMBL3099591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJVYPPZKUJGINW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
244.2
MW (Da)
2.82
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 4.04 | 4.04 | 91000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 91000.0 | nM | 4.04 | Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME... | 24900624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900624 | 10.1021/ml4002562 | Bifunctional epoxide hydrolase 2 | 2 |
| 24900624 | 10.1021/ml4002562 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine