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Compound Detail

CHEMBL83216

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COc1ccc2[nH]cc(C(=O)C(=O)N[C@H](C)C(=O)O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83216
Phase Preclinical
Structure Type MOL
InChI Key ZUVFZCVNOSIQSP-SSDOTTSWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
0.95
ALogP
4
HBA
3
HBD
108.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O5
MW 290.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.36

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2555510 10.1021/jm00132a004 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine