Compound Detail
CHEMBL3099590
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3099590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNTKPXBQPUSWQY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
199.2
MW (Da)
2.41
ALogP
3
HBA
2
HBD
67.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of recombinant soluble epoxide hydrolase (unknown origin) using PHOME... | 24900624 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of recombinant 5-lipoxygenase (unknown origin) expressed in Escherich... | 24900624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900624 | 10.1021/ml4002562 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 24900624 | 10.1021/ml4002562 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine