Compound Detail
CHEMBL4562421
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Basic Information
| ChEMBL ID | CHEMBL4562421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXPSVFXVBJDSFQ-GDNBJRDFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
502.9
MW (Da)
6.28
ALogP
5
HBA
2
HBD
90.1
PSA (Ų)
0.43
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of human transmembrane domain deficient FFAH expressed in Escherichia... | 30503633 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of rat FFAH expressed in Escherichia coli using AAMCA as substrate in... | 30503633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30503633 | 10.1016/j.bmcl.2018.11.048 | Fatty-acid amide hydrolase 1 | 2 |
| 30503633 | 10.1016/j.bmcl.2018.11.048 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine