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Compound Detail

CHEMBL2204601

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Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccc(OC(C)(C)C(=O)O)cc1)C(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2204601
Phase Preclinical
Structure Type MOL
InChI Key NXUKBBNHWYAKAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

563.5
MW (Da)
6.50
ALogP
5
HBA
1
HBD
92.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27BrN2O5
MW 563.45
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.26

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