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Compound Detail

CHEMBL429974

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CC(=O)N[C@@H]1CNC[C@H](C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL429974
Phase Preclinical
Structure Type MOL
InChI Key CTLGLODMRLJDDA-RQJHMYQMSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

186.2
MW (Da)
-0.81
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.53
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 C8H14N2O3
MW 186.21
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
6292417 10.1021/jm00352a012 No relevant target 2
6292417 10.1021/jm00352a012 GABA-A receptor; anion channel 1
6292417 10.1021/jm00352a012 GABA transporter 1

Data from ChEMBL 36 via Core Engine