Compound Detail
CHEMBL4210152
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Basic Information
| ChEMBL ID | CHEMBL4210152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKRNGXUJIZSKLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.9
MW (Da)
5.79
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.60
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 1900.0 | nM | 5.72 | Negative allosteric modulation of human CB1 receptor expressed in HEK293 cells a... | 29079014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29079014 | 10.1016/j.bmc.2017.10.015 | Cannabinoid receptor 1 | 4 |
| 29079014 | 10.1016/j.bmc.2017.10.015 | Monoglyceride lipase | 2 |
| 29079014 | 10.1016/j.bmc.2017.10.015 | Fatty-acid amide hydrolase 1 | 2 |
| 29079014 | 10.1016/j.bmc.2017.10.015 | U-937 | 1 |
| 29079014 | 10.1016/j.bmc.2017.10.015 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine