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Compound Detail

CHEMBL201924

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CCC(CC)n1cnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2c1=O

Basic Information

ChEMBL ID CHEMBL201924
Phase Preclinical
Structure Type MOL
InChI Key QLIMCNSKOVRYLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.3
MW (Da)
5.92
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.40
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 C22H20Cl2N4O
MW 427.34
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.17

Activity Summary

Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 7.58 7.58 26.0 1

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