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Compound Detail

CHEMBL399248

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CC1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C2CCCC2)C4)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399248
Phase Preclinical
Structure Type MOL
InChI Key ZGHROMVKNAMFRK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.5
MW (Da)
4.30
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.88
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 C22H29N3O
MW 351.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.93

Activity Summary

Ki 1 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
 Ki 5.33 5.33 4724.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cannabinoid receptor 2 Ki = 4724.0 nM 5.33 Binding affinity to human CB2 receptor 17884494

Literature References

PubMed DOI Target Context # Activities
17884494 10.1016/j.bmcl.2007.09.019 Cannabinoid receptor 2 2
17884494 10.1016/j.bmcl.2007.09.019 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine