Compound Detail
CHEMBL1082321
6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYDROXY-2-METHYLPROPAN-2-YL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) Enter ChEMBL ID:
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CC(C)(CO)NC(=O)C1CC(C)(C)Oc2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc21
Basic Information
| ChEMBL ID | CHEMBL1082321 |
| Name | 6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-N-(1-HYDROXY-2-METHYLPROPAN-2-YL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDINE-4-CARBOXAMIDE (ENANTIOMERIC MIX) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUNWVTKDXNTEJW-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
533.9
MW (Da)
6.91
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.85 | 7.335 | 14.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.29 | 5.21 | 5150.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 14.0 | nM | 7.85 | Binding affinity to human CB1 receptor | 20483606 |
| Cannabinoid receptor 1 | IC50 | = | 150.0 | nM | 6.82 | Binding affinity to human CB1 receptor | 20483606 |
| Cannabinoid receptor 2 | IC50 | = | 5150.0 | nM | 5.29 | Binding affinity to human CB2 receptor | 20483606 |
| Cannabinoid receptor 2 | IC50 | = | 7450.0 | nM | 5.13 | Binding affinity to human CB2 receptor | 20483606 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20483606 | 10.1016/j.bmcl.2010.04.071 | Cannabinoid receptor 1 | 2 |
| 20483606 | 10.1016/j.bmcl.2010.04.071 | Cannabinoid receptor 2 | 2 |
Data from ChEMBL 36 via Core Engine