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Compound Detail

CHEMBL543481

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Cl.Cn1c(=O)oc2cc(C(CN)CC(=O)O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL543481
Phase Preclinical
Structure Type MOL
InChI Key MEKKOCHPIADDFX-UHFFFAOYSA-N
Parent Compound CHEMBL1192267
Active Moiety CHEMBL1192267
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.2
MW (Da)
0.65
ALogP
5
HBA
2
HBD
98.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15ClN2O4
MW 286.72
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
3031294 10.1021/jm00387a031 GABA-A receptor; anion channel 1
3031294 10.1021/jm00387a031 GABA B receptor 1

Data from ChEMBL 36 via Core Engine