Compound Detail
CHEMBL3951706
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Basic Information
| ChEMBL ID | CHEMBL3951706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDPCDRQVUIAHOG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.53
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-yl... | 27989417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27989417 | 10.1016/j.bmc.2016.11.025 | ADMET | 2 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine