Compound Detail
CHEMBL347894
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Basic Information
| ChEMBL ID | CHEMBL347894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYVHUTVZCCRZPW-SNVBAGLBSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
3.24
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.1
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor CHEMBL2096981 | Ki | 6.1 | 6.1 | 800.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 6.1 | 6.1 | 800.0 | 3 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | IC50 | 5.58 | 5.5567 | 2600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty-acid amide hydrolase 1 | Ki | = | 800.0 | nM | 6.1 | Compound was tested for inhibitory potency against Fatty-acid amide hydrolase (F... | 9871570 |
| Cannabinoid receptor | Ki | = | 800.0 | nM | 6.1 | Binding affinity for Cannabinoid receptor | 16078824 |
| Fatty-acid amide hydrolase 1 | Ki | = | 800.0 | nM | 6.1 | Inhibition of rat recombinant FAAH expressed in Escherichia coli by [14C]oleamid... | 17279740 |
| Fatty-acid amide hydrolase 1 | Ki | = | 800.0 | nM | 6.1 | Inhibition of FAAH assessed as conversion [14]C-oleamide to oleic acid by Scinti... | 21764305 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2600.0 | nM | 5.58 | Inhibitory concentration against Fatty-acid amide hydrolase (FAAH) at pH 9.0 | 9871570 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 2600.0 | nM | 5.58 | Irreversible inhibition of fatty acid amide hydrolase | 16078824 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 3100.0 | nM | 5.51 | Concentration required to inhibit Fatty-acid amide hydrolase (FAAH) at pH 7.0 | 9871570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871570 | 10.1016/s0960-894x(98)00073-0 | Fatty-acid amide hydrolase 1 | 3 |
| 9871570 | 10.1016/s0960-894x(98)00073-0 | ADMET | 1 |
| 16078824 | 10.1021/jm058183t | Fatty-acid amide hydrolase 1 | 1 |
| 16078824 | 10.1021/jm058183t | Cannabinoid receptor | 1 |
| 17279740 | 10.1021/jm0611509 | Fatty-acid amide hydrolase 1 | 1 |
| 21764305 | 10.1016/j.bmcl.2011.06.096 | Fatty-acid amide hydrolase 1 | 1 |
Data from ChEMBL 36 via Core Engine