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Compound Detail

CHEMBL524680

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O=C(CCc1nc(-c2ccc(F)cc2Cl)no1)Nc1ccc(C(F)(F)F)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL524680
Phase Preclinical
Structure Type MOL
InChI Key WLVORWCZCJGRGP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.2
MW (Da)
5.77
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H11Cl2F4N3O2
MW 448.20
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.30

Activity Summary

EC50 3 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
EC50 7.6 7.405 25.0 2
Cannabinoid receptor 2
CHEMBL2470
EC50 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18680277 10.1021/jm800463f Cannabinoid receptor 1 6
18680277 10.1021/jm800463f Cannabinoid receptor 2 6

Data from ChEMBL 36 via Core Engine