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Compound Detail

CHEMBL6045267

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CC(C)c1cc(C(=O)N2CC(F)C2)cc(C(C)C)c1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6045267
Phase Preclinical
Structure Type MOL
InChI Key NRQDUSSTMVCGSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
5.31
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FNO2
MW 369.48
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.57

Activity Summary

EC50 1 meas. best 9.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycine receptor subunit alpha-1
CHEMBL5845
 EC50 9.37 9.37 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycine receptor subunit alpha-1 EC50 = 0.43 nM 9.37 Electrophysical Characterization Assay: Human embryonic kidney (HEK) 293 cells (... -

Data from ChEMBL 36 via Core Engine