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Compound Detail

CHEMBL142066

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC/C(S)=N/[C@H](C)CO

Basic Information

ChEMBL ID CHEMBL142066
Phase Preclinical
Structure Type MOL
InChI Key YXUBMIPIMPHDIW-FQPARAGTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.6
MW (Da)
6.84
ALogP
2
HBA
2
HBD
32.6
PSA (Ų)
0.10
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H39NOS
MW 377.64
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.05

Activity Summary

Ki 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL3571
Ki 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8893848 10.1021/jm960152y Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine