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Compound Detail

CHEMBL1163348

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O=C(O)C[C@H]1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163348
Phase Preclinical
Structure Type MOL
InChI Key ADSALMJPJUKESW-RXMQYKEDSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
0.21
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO2
MW 129.16
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 1.15

Activity Summary

IC50 5 meas.

Literature References

PubMed DOI Target Context # Activities
20219271 10.1016/j.ejmech.2010.02.029 Unchecked 2
25698617 10.1016/j.bmc.2015.01.035 Sodium- and chloride-dependent GABA transporter 1 1
25698617 10.1016/j.bmc.2015.01.035 GABA transporter 2 1
25698617 10.1016/j.bmc.2015.01.035 GABA transporter 3 1
25698617 10.1016/j.bmc.2015.01.035 GABA transporter 4 1

Data from ChEMBL 36 via Core Engine