Compound Detail
CHEMBL2415105
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 | CHEMBL2415105 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMKZIKHBSPDWEF-KHPPLWFESA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
7.35
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 CHEMBL5669 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL4140 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| Bifunctional epoxide hydrolase 2 CHEMBL2409 | IC50 | 6.62 | 6.62 | 241.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 4.96 | 4.96 | 11000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bifunctional epoxide hydrolase 2 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of recombinant rat sEH expressed in baculovirus expression system usi... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 126.0 | nM | 6.9 | Inhibition of recombinant mouse sEH expressed in baculovirus expression system u... | 33320645 |
| Bifunctional epoxide hydrolase 2 | IC50 | = | 241.0 | nM | 6.62 | Inhibition of recombinant human sEH expressed in baculovirus expression system u... | 33320645 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 11000.0 | nM | 4.96 | Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-me... | 23891163 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 11100.0 | nM | 4.96 | Reversible inhibition of human recombinant FAAH using N-arachidonyl-7-amino-4-me... | 23891163 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of recombinant human FAAH using N-arachidonyl-7-amino-4-methylcoumari... | 30816712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23891163 | 10.1016/j.bmc.2013.06.034 | Fatty-acid amide hydrolase 1 | 5 |
| 33320645 | 10.1021/acs.jnatprod.0c00938 | Bifunctional epoxide hydrolase 2 | 3 |
| 30816712 | 10.1021/acs.jnatprod.8b00874 | Fatty-acid amide hydrolase 1 | 2 |
Data from ChEMBL 36 via Core Engine