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Compound Detail

CHEMBL3398490

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

Basic Information

ChEMBL ID CHEMBL3398490
Phase Preclinical
Structure Type MOL
InChI Key XHUBIECCHFNXIA-PRJDIBJQSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

143.2
MW (Da)
0.46
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.59
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 C7H13NO2
MW 143.19
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 1.25

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
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