Compound Detail
CHEMBL428693
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Basic Information
| ChEMBL ID | CHEMBL428693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVMDOMHQDHYEFQ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.8
MW (Da)
6.46
ALogP
4
HBA
1
HBD
59.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.89 | 7.4033 | 13.0 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.76 | 5.76 | 1740.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.117 | uM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO-K1 cells... | 21875798 |
| Cannabinoid receptor 1 | Ki | = | 56.0 | nM | 7.25 | Displacement of [3H]-CP55940 from human CB1 receptor expressed in CHO-K1 cells a... | 21875798 |
| Cannabinoid receptor 1 | Ki | = | 85.0 | nM | 7.07 | Evaluated for binding affinity towards human Cannabinoid receptor 1 | 14980654 |
| Cannabinoid receptor 2 | Ki | = | 1740.0 | nM | 5.76 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO-K1 cells a... | 21875798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21875798 | 10.1016/j.bmcl.2011.08.032 | Cannabinoid receptor 1 | 3 |
| 14980654 | 10.1016/j.bmcl.2003.12.068 | Cannabinoid receptor 1 | 1 |
| 21875798 | 10.1016/j.bmcl.2011.08.032 | Cannabinoid receptor 2 | 1 |
| 21875798 | 10.1016/j.bmcl.2011.08.032 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine