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Compound Detail

CHEMBL3752875

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C=CC(=O)N1C(=O)C=CC12CCCC21OCCO1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752875
Phase Preclinical
Structure Type MOL
InChI Key HXCDLPFSLMUXNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
0.76
ALogP
4
HBA
0
HBD
55.8
PSA (Ų)
0.64
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 C13H15NO4
MW 249.27
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.12

Literature References

PubMed DOI Target Context # Activities
26706177 10.1016/j.bmcl.2015.11.100 Sodium- and chloride-dependent GABA transporter 1 1
26706177 10.1016/j.bmcl.2015.11.100 GABA transporter 2 1
26706177 10.1016/j.bmcl.2015.11.100 GABA transporter 3 1
26706177 10.1016/j.bmcl.2015.11.100 GABA transporter 4 1

Data from ChEMBL 36 via Core Engine