Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1083014

N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-PYRANO[2,3-B]PYRIDIN-4-YL)-2-HYDROXYACETAMIDE (ENANTIOMERIC MIX)
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1(C)CC(NC(=O)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1083014
Name N-(6-(4-CHLOROPHENYL)-7-(2,4-DICHLOROPHENYL)-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 LGJVWHPVWBOBEW-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

491.8
MW (Da)
6.09
ALogP
4
HBA
2
HBD
71.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21Cl3N2O3
MW 491.80
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.21

Activity Summary

IC50 4 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
 IC50 8.77 7.47 1.7 2
Cannabinoid receptor 2
CHEMBL253
 IC50 5.32 5.25 4780.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 IC50 = 1.7 nM 8.77 Binding affinity to human CB1 receptor 20483606
Cannabinoid receptor 1 IC50 = 670.0 nM 6.17 Binding affinity to human CB1 receptor 20483606
Cannabinoid receptor 2 IC50 = 4780.0 nM 5.32 Binding affinity to human CB2 receptor 20483606
Cannabinoid receptor 2 IC50 = 6610.0 nM 5.18 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