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

CHEMBL536533

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
COc1ccc(C(SCCCN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL536533
Phase Preclinical
Structure Type MOL
InChI Key IYGFQNGVQIJSOI-VEIFNGETSA-N
Parent Compound CHEMBL1188497
Active Moiety CHEMBL1188497
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

429.6
MW (Da)
4.71
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32ClNO4S
MW 466.04
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17517506 10.1016/j.bmcl.2007.04.010 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine