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Compound Detail

CHEMBL381858

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O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2cnn1CC(F)(F)F

Basic Information

ChEMBL ID CHEMBL381858
Phase Preclinical
Structure Type MOL
InChI Key BLFSFPLFARTKFQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.2
MW (Da)
5.12
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.45
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11Cl2F3N4O
MW 439.22
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.78

Activity Summary

Ki 2 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 8.4 8.25 4.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16263283 10.1016/j.bmcl.2005.10.019 Cannabinoid receptor 1 2
16263283 10.1016/j.bmcl.2005.10.019 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine