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Compound Detail

CHEMBL576230

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Cc1c(-c2cn(Cc3ccccc3)cn2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL576230
Phase Preclinical
Structure Type MOL
InChI Key VVEMQFNTCWDIFS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.8
MW (Da)
7.72
ALogP
4
HBA
0
HBD
35.6
PSA (Ų)
0.25
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 C26H19Cl3N4
MW 493.83
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.37

Activity Summary

Ki 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
 Ki 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 14.0 nM 7.85 Displacement of [3H]SR141716A from rat brain CB1 receptor 19683918

Literature References

PubMed DOI Target Context # Activities
19683918 10.1016/j.bmcl.2009.07.130 Cannabinoid receptor 1 2
19683918 10.1016/j.bmcl.2009.07.130 Unchecked 1

Data from ChEMBL 36 via Core Engine