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Compound Detail

CHEMBL4572326

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CCCC/C(=C\c1cc(OCc2cn(Cc3ccc(C(=O)O)cc3)nn2)ccc1OCc1ccc(C(F)(F)F)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4572326
Phase Preclinical
Structure Type MOL
InChI Key KOANUKKQNYFSKL-BUVRLJJBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

609.6
MW (Da)
6.86
ALogP
7
HBA
2
HBD
123.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30F3N3O6
MW 609.60
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.82

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