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Compound Detail

CHEMBL568229

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Cc1c(-c2nc[nH]c2C(C)C)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568229
Phase Preclinical
Structure Type MOL
InChI Key GJNMOEFPCPQQTK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)
6.67
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20Cl2N4
MW 411.34
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.10

Activity Summary

Ki 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
 Ki 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 1 Ki = 31.0 nM 7.51 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