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Compound Detail

CHEMBL390675

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CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12

Basic Information

ChEMBL ID CHEMBL390675
Phase Preclinical
Structure Type MOL
InChI Key ZBSLIPYRPMLJDW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
6.83
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25NO
MW 367.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.62

Activity Summary

IC50 2 meas. best 7.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
IC50 7.6 7.6 25.0 1
Cannabinoid receptor 2
CHEMBL253
IC50 6.92 6.92 120.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17630726 10.1021/jm070317a Cannabinoid receptor 1 2
17630726 10.1021/jm070317a Cannabinoid receptor 2 2

Data from ChEMBL 36 via Core Engine