Compound Detail
CHEMBL112486
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Basic Information
| ChEMBL ID | CHEMBL112486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUMBQHYWMFCKTB-DOFZRALJSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.6
MW (Da)
6.43
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.19
QED
1
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3455 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Cannabinoid receptor 1 CHEMBL3037 | IC50 | 6.52 | 6.52 | 304.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | IC50 | = | 0.1 | nM | 10.0 | Irreversible inhibition of fatty acid amide hydrolase | 16078824 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 0.11 | nM | 9.96 | Inhibitory potency of Fatty-acid amide hydrolase with Mouse brain membrane | 12951114 |
| Cannabinoid receptor 1 | IC50 | = | 304.0 | nM | 6.52 | Binding affinity towards Cannabinoid receptor 1 was determined using [3H]-CP- ca... | 12951114 |
| Cannabinoid receptor 1 | IC50 | = | 304.0 | nM | 6.52 | Inhibition of [3H]CP-55940 binding to mouse Cannabinoid receptor 1 | 16078824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12951114 | 10.1016/s0960-894x(03)00721-2 | Cannabinoid receptor 1 | 1 |
| 12951114 | 10.1016/s0960-894x(03)00721-2 | Fatty-acid amide hydrolase 1 | 1 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
| 16078824 | 10.1021/jm058183t | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine