Compound Detail
CHEMBL1085261
N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX) Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1085261 |
| Name | N-(7-(2-CHLOROPHENYL)-6-(4-CHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX) |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFJREZUFRMFGKX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
5.43
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.34 | 6.89 | 46.0 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 4.99 | 4.99 | 10130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 46.0 | nM | 7.34 | Binding affinity to human CB1 receptor | 20483606 |
| Cannabinoid receptor 1 | IC50 | = | 360.0 | nM | 6.44 | Binding affinity to human CB1 receptor | 20483606 |
| Cannabinoid receptor 2 | IC50 | = | 10130.0 | nM | 4.99 | 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