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Compound Detail

CHEMBL3647315

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CC(C)Cn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C#N)ccc1OC1CCC1

Basic Information

ChEMBL ID CHEMBL3647315
Phase Preclinical
Structure Type MOL
InChI Key HWNSLBVHLLZKAP-LVWGJNHUSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.6
MW (Da)
5.05
ALogP
5
HBA
0
HBD
67.4
PSA (Ų)
0.69
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 C23H29N3O2S
MW 411.57
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.18

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 7.02 7.02 96.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine