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

CHEMBL2204606

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
Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204606
Phase Preclinical
Structure Type MOL
InChI Key MPQUTKCVLJIPOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.07
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O5
MW 394.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
23084275 10.1016/j.bmcl.2012.09.092 Peroxisome proliferator-activated receptor gamma 1
23084275 10.1016/j.bmcl.2012.09.092 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine