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Compound Detail

CHEMBL4467971

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CCCCC(Cc1cc(OCc2ccc3nc(C(F)(F)F)cc(OC)c3c2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467971
Phase Preclinical
Structure Type MOL
InChI Key HFIAKUDGTFUXIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

635.6
MW (Da)
8.87
ALogP
5
HBA
1
HBD
77.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H31F6NO5
MW 635.60
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.46

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