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

CHEMBL1813005

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
CCO[C@@H](Cc1ccc(OCc2nc(-c3sccc3C)oc2C)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813005
Phase Preclinical
Structure Type MOL
InChI Key GJPAJPKOSWXVGX-SFHVURJKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.63
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO5S
MW 401.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21450468 10.1016/j.bmcl.2011.03.020 Peroxisome proliferator-activated receptor alpha 2
21450468 10.1016/j.bmcl.2011.03.020 Peroxisome proliferator-activated receptor gamma 2
21450468 10.1016/j.bmcl.2011.03.020 Peroxisome proliferator-activated receptor delta 1
21450468 10.1016/j.bmcl.2011.03.020 Mus musculus 1

Data from ChEMBL 36 via Core Engine