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Compound Detail

CHEMBL198034

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CCCCCOc1ncccc1C(O)CCCCCCC(=O)[O-].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL198034
Phase Preclinical
Structure Type MOL
InChI Key ITJHMNXIQGBICM-UHFFFAOYSA-M
Parent Compound CHEMBL1206085
Active Moiety CHEMBL1206085
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
4.11
ALogP
4
HBA
2
HBD
79.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28NNaO4
MW 345.42
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.06

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