Compound Detail
CHEMBL3918133
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Basic Information
| ChEMBL ID | CHEMBL3918133 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRMSAQZXASJTNE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
1.99
ALogP
6
HBA
0
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of FAAH in rat brain microsomes using N-(2-hydroxyethyl)-4-pyren-1-yl... | 27989417 |
| Unchecked | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of pig platelet cytosolic phospholipase A2alpha using 1-stearoyl-2-ar... | 27989417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27989417 | 10.1016/j.bmc.2016.11.025 | Unchecked | 2 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | ADMET | 1 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | Fatty-acid amide hydrolase 1 | 1 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | No relevant target | 1 |
| 27989417 | 10.1016/j.bmc.2016.11.025 | Monoglyceride lipase | 1 |
Data from ChEMBL 36 via Core Engine