Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4228372

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)c1cc(C(=O)N2CCO[C@H](C)C2)cc(C(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228372
Phase Preclinical
Structure Type MOL
InChI Key VXWCEFDYQGTMKE-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
3.50
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H27NO3
MW 305.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.73

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 Positive allosteric modulation of GlyRalpha1 (unknown origin) assessed as potent... 28876062

Literature References

PubMed DOI Target Context # Activities
28876062 10.1021/acs.jmedchem.7b00956 Glycine receptor subunit alpha-1 1

Data from ChEMBL 36 via Core Engine