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Compound Detail

CHEMBL3647303

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CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(Cl)ccc1OCC1CCO1

Basic Information

ChEMBL ID CHEMBL3647303
Phase Preclinical
Structure Type MOL
InChI Key WSWPDLXVTSTZJL-FLFQWRMESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.0
MW (Da)
5.07
ALogP
5
HBA
0
HBD
52.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29ClN2O3S
MW 437.01
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.22

Activity Summary

Ki 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cannabinoid receptor 2
CHEMBL2470
Ki 8.28 8.28 5.2 1
Cannabinoid receptor 2
CHEMBL253
Ki 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine