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Compound Detail

CHEMBL16226

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O=C(O)[C@H]1CNCC[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16226
Phase Preclinical
Structure Type MOL
InChI Key DAMFVOCECLPLSI-WHFBIAKZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

145.2
MW (Da)
-0.96
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO3
MW 145.16
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.10

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