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Compound Detail

CHEMBL2337128

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COc1ccc(C(=O)n2c(C)c(Cc3cccc(O[C@@H](C)C(=O)O)c3)c3cc(OC(F)F)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2337128
Phase Preclinical
Structure Type MOL
InChI Key VQTYZRLMUGNHGV-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

509.5
MW (Da)
5.69
ALogP
6
HBA
1
HBD
87.0
PSA (Ų)
0.31
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 C28H25F2NO6
MW 509.51
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
23286787 10.1021/jm3013272 Peroxisome proliferator-activated receptor gamma 3
23286787 10.1021/jm3013272 Peroxisome proliferator-activated receptor delta 1
23286787 10.1021/jm3013272 Peroxisome proliferator-activated receptor alpha 1

Data from ChEMBL 36 via Core Engine