Compound Detail
CHEMBL4161451
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Basic Information
| ChEMBL ID | CHEMBL4161451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSLBPMDUHJAOJN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.86
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.9 | 4.9 | 12620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 12620.0 | nM | 4.9 | Displacement of [3H]CP55940 from membrane bound human CB2 receptor after 1 hr by... | 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