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Compound Detail

CHEMBL337912

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COC(=O)c1cc(-c2cc(=O)c3cc(C)ccc3o2)cc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL337912
Phase Preclinical
Structure Type MOL
InChI Key OSUCZYCYUHZNQJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
3.46
ALogP
6
HBA
0
HBD
99.7
PSA (Ų)
0.41
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 C18H13NO6
MW 339.30
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
12213060 10.1021/jm020839k GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine