Compound Detail
CHEMBL3800599
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Basic Information
| ChEMBL ID | CHEMBL3800599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDLUGHZSHZDUJD-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
5.70
ALogP
6
HBA
0
HBD
64.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.7
Ki 1 meas. best 10.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 10.73 | 10.73 | 0.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 0.0185 | nM | 10.73 | Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transme... | 27130358 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transme... | 27130358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27130358 | 10.1016/j.bmcl.2016.02.061 | Fatty-acid amide hydrolase 1 | 3 |
Data from ChEMBL 36 via Core Engine