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Compound Detail

CHEMBL4435190

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CCC/C(=C\c1cc(OCc2ccc3[nH]ccc3c2)ccc1OCc1ccc(F)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4435190
Phase Preclinical
Structure Type MOL
InChI Key MNKXWPQJSAJVEX-PXLXIMEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
6.73
ALogP
3
HBA
2
HBD
71.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26FNO4
MW 459.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
31548084 10.1016/j.bmc.2019.115082 Peroxisome proliferator-activated receptor gamma 1

Data from ChEMBL 36 via Core Engine