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Compound Detail

CHEMBL178918

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CCCn1c(C)c(C(=O)c2cc([N+](=O)[O-])cc3ccccc23)c2ccccc21

Basic Information

ChEMBL ID CHEMBL178918
Phase Preclinical
Structure Type MOL
InChI Key FUQZTABZSHOQOG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
5.65
ALogP
4
HBA
0
HBD
65.1
PSA (Ų)
0.26
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 C23H20N2O3
MW 372.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 6.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL253
Ki 6.84 6.84 143.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15993070 10.1016/j.bmcl.2005.05.049 Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine