Compound Detail
CHEMBL1641943
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CCCCCn1cc(C(=O)NCC23CC4CC(C)(CC(C)(C4)C2)C3)c(=O)cc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1641943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRNZJIUGNONERQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.7
MW (Da)
6.43
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.18
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.24 | 8.24 | 5.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.18 | 8.18 | 6.6 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.34 | 6.34 | 454.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 5.8 | nM | 8.24 | Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimul... | 20979417 |
| Cannabinoid receptor 2 | Ki | = | 6.6 | nM | 8.18 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells afte... | 20979417 |
| Cannabinoid receptor 1 | Ki | = | 454.0 | nM | 6.34 | Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells af... | 20979417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 2 | 3 |
| 20979417 | 10.1021/jm100286k | Cannabinoid receptor 1 | 1 |
| 20979417 | 10.1021/jm100286k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine