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Compound Detail

CHEMBL3601094

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O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC(=O)c2cccc(CN3C(=O)OC[C@@H]3Cc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601094
Phase Preclinical
Structure Type MOL
InChI Key TYIAGOIUAXCVPG-LJAQVGFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

587.6
MW (Da)
6.45
ALogP
4
HBA
2
HBD
87.7
PSA (Ų)
0.24
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 C33H28F3N3O4
MW 587.60
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
26226490 10.1021/acs.jmedchem.5b00849 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine