Compound Detail
CHEMBL4167940
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Basic Information
| ChEMBL ID | CHEMBL4167940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICCBFBOJAMDVGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.99
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.83 | 4.83 | 14670.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 14670.0 | nM | 4.83 | Displacement of [3H]CP55940 from membrane bound human CB2 receptor after 1 hr by... | 30217464 |
| Cannabinoid receptor 1 | IC50 | = | 100000.0 | nM | 4.0 | Displacement of [3H]SR141716A from membrane bound human CB1 receptor after 1 hr ... | 30217464 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30217464 | 10.1016/j.bmc.2018.09.007 | Cannabinoid receptor 2 | 3 |
| 30217464 | 10.1016/j.bmc.2018.09.007 | Cannabinoid receptor 1 | 3 |
| 30217464 | 10.1016/j.bmc.2018.09.007 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine