Compound Detail
CHEMBL331254
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Basic Information
| ChEMBL ID | CHEMBL331254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQKRCUYLKDPEK-HDKKLVKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.21
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 6.22 | 6.22 | 600.0 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL2243 | Ki | 6.2 | 6.2 | 630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]CP-55940 from rat forebrain membrane which expresses Cannabi... | 12166944 |
| Fatty-acid amide hydrolase 1 | Ki | = | 630.0 | nM | 6.2 | Inhibition of Fatty-acid amide hydrolase (FAAH) activity in human lymphoma U937 ... | 12166944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166944 | 10.1021/jm020818q | Cannabinoid receptor 1 | 1 |
| 12166944 | 10.1021/jm020818q | Cannabinoid receptor 2 | 1 |
| 12166944 | 10.1021/jm020818q | Fatty-acid amide hydrolase 1 | 1 |
| 12166944 | 10.1021/jm020818q | Unchecked | 1 |
| 12166944 | 10.1021/jm020818q | Cannabinoid receptor | 1 |
Data from ChEMBL 36 via Core Engine