Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3752733

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C1C=CC2(CCCC23OCCO3)N1C(=O)CCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752733
Phase Preclinical
Structure Type MOL
InChI Key FWPFGAMJVCRESW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
0.30
ALogP
6
HBA
0
HBD
68.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N2O5
MW 336.39
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness -0.13

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