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Compound Detail

CHEMBL5912281

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CC(C)c1cc(C(=O)Cl)cc(C(C)C)c1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5912281
Phase Preclinical
Structure Type MOL
InChI Key REHXJIIVCKBYLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.9
MW (Da)
5.89
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.62
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClO2
MW 330.86
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.19

Activity Summary

EC50 1 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycine receptor subunit alpha-1
CHEMBL5845
 EC50 10.22 10.22 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycine receptor subunit alpha-1 EC50 = 0.06 nM 10.22 Electrophysical Characterization Assay: Human embryonic kidney (HEK) 293 cells (... -

Data from ChEMBL 36 via Core Engine