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Compound Detail

CHEMBL3754503

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CCOC(=O)C1CCCN(CCC(=O)N2CCCC23CCCCC3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754503
Phase Preclinical
Structure Type MOL
InChI Key KUSLDZDWQMFSBV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
2.98
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H34N2O3
MW 350.50
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas.

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