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Compound Detail

CHEMBL1641954

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CCCCCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)cc1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641954
Phase Preclinical
Structure Type MOL
InChI Key BIRMGFPCHVWZNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.9
MW (Da)
6.63
ALogP
3
HBA
1
HBD
51.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClF3N2O2
MW 462.90
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 EC50 6.8 6.8 158.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 EC50 = 158.0 nM 6.8 Agonist activity at human CB2 receptor expressed in CHO cells assessed as stimul... 20979417

Literature References

PubMed DOI Target Context # Activities
20979417 10.1021/jm100286k Cannabinoid receptor 2 3
20979417 10.1021/jm100286k Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine