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Compound Detail

CHEMBL4226150

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CC(C)c1cc(C(=O)N2CCN(C)CC2)cc(C(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4226150
Phase Preclinical
Structure Type MOL
InChI Key YDNXGGTZJCJAMG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.03
ALogP
3
HBA
1
HBD
43.8
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 C18H28N2O2
MW 304.43
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.52

Activity Summary

EC50 2 meas.

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