Compound Detail
CHEMBL245148
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Basic Information
| ChEMBL ID | CHEMBL245148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQIRMANZYPXWII-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
5.10
ALogP
4
HBA
2
HBD
68.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 8.77 | 8.77 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human recombinant soluble epoxide hydrolase by fluorescent based a... | 17894481 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 1.7 | nM | 8.77 | Inhibition of human recombinant soluble epoxide hydrolase using CMNPC as substra... | 22522007 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17894481 | 10.1021/jm070705c | Bifunctional epoxide hydrolase 2 | 1 |
| 17894481 | 10.1021/jm070705c | Liver microsomes | 1 |
| 17894481 | 10.1021/jm070705c | ADMET | 1 |
| 17894481 | 10.1021/jm070705c | No relevant target | 1 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Mycobacterium tuberculosis | 1 |
| 22522007 | 10.1016/j.bmc.2012.03.058 | Bifunctional epoxide hydrolase 2 | 1 |
Data from ChEMBL 36 via Core Engine