Compound Detail
CHEMBL3826998
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Basic Information
| ChEMBL ID | CHEMBL3826998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSVRVWSAFNJORB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
5.01
ALogP
8
HBA
1
HBD
108.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.67 | 7.225 | 21.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 21.3 | nM | 7.67 | Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine... | 27309570 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 167.4 | nM | 6.78 | Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine... | 27309570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27309570 | 10.1021/acs.jmedchem.6b00609 | Fatty-acid amide hydrolase 1 | 2 |
| 27309570 | 10.1021/acs.jmedchem.6b00609 | Acetylcholinesterase | 1 |
| 27309570 | 10.1021/acs.jmedchem.6b00609 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine