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Compound Detail

CHEMBL4458082

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CCC/C(=C\c1cc(OCc2ccc(N(C)C)cc2)ccc1OCc1ccc(F)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458082
Phase Preclinical
Structure Type MOL
InChI Key VADUYCFKOFWTJB-CJLVFECKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
6.32
ALogP
4
HBA
1
HBD
59.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30FNO4
MW 463.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.48

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