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Compound Detail

CHEMBL199125

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CCCCCOc1nc2ccccc2cc1C(O)CCCCCCCC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199125
Phase Preclinical
Structure Type MOL
InChI Key CIMVBEIFYVZLQH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
5.74
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H35NO4
MW 401.55
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
16137885 10.1016/j.bmcl.2005.07.049 Peroxisome proliferator-activated receptor gamma 3
16137885 10.1016/j.bmcl.2005.07.049 Peroxisome proliferator-activated receptor alpha 2

Data from ChEMBL 36 via Core Engine