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Compound Detail

CHEMBL275804

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CCC1NC(C(=O)OC)=Cc2c1n(C)c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL275804
Phase Preclinical
Structure Type MOL
InChI Key ZBDHBEZCOVEOFI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
2.75
ALogP
4
HBA
1
HBD
43.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O2
MW 270.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
6127411 10.1021/jm00351a015 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine