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Compound Detail

CHEMBL196139

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CCCCCOc1ncccc1C(O)C/C=C/CCCC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196139
Phase Preclinical
Structure Type MOL
InChI Key BJQATQHPNWIWFJ-FNORWQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.97
ALogP
5
HBA
1
HBD
68.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29NO4
MW 335.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.33

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