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Compound Detail

CHEMBL610489

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FC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL610489
Phase Preclinical
Structure Type MOL
InChI Key QKSTVKQKJHYJSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.3
MW (Da)
4.02
ALogP
4
HBA
0
HBD
38.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F6N3O
MW 377.29
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.67

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 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 EC50 = 158.49 nM 6.8 Agonist activity at human CB2 receptor 20005703

Literature References

PubMed DOI Target Context # Activities
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 2 2
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine