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Compound Detail

CHEMBL1209576

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CN1CCN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)CC1

Basic Information

ChEMBL ID CHEMBL1209576
Phase Preclinical
Structure Type MOL
InChI Key ROYMHWOULZALOP-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
3.54
ALogP
4
HBA
0
HBD
37.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O2
MW 367.49
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.59

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20634067 10.1016/j.bmcl.2010.06.067 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine