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Compound Detail

CHEMBL3923170

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Cc1cccc(-c2c(O)cc(C(C)(C)c3cccs3)cc2O)c1

Basic Information

ChEMBL ID CHEMBL3923170
Phase Preclinical
Structure Type MOL
InChI Key FVWJPCDWCHPHPP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
5.46
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20O2S
MW 324.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.41

Activity Summary

Ki 2 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 1
CHEMBL218
Ki 8.43 8.43 3.7 1
Cannabinoid receptor 2
CHEMBL253
Ki 7.09 7.09 82.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine