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Compound Detail

CHEMBL4078900

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O=C1/C(=C/c2ccccc2F)Cc2ccc(O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4078900
Phase Preclinical
Structure Type MOL
InChI Key RTMQBZGPMKPVFA-XYOKQWHBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

254.3
MW (Da)
3.35
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11FO2
MW 254.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
28384544 10.1016/j.ejmech.2017.03.049 RAW264.7 2
33214035 10.1016/j.bmc.2020.115853 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine