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Compound Detail

CHEMBL4293042

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CCCCCCCCCCCCCCC/C(=N\O)c1cc(-c2ccc(OC)c(F)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4293042
Phase Preclinical
Structure Type MOL
InChI Key HHODAWQXJUUIAZ-TVKQRKNISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.7
MW (Da)
8.87
ALogP
4
HBA
2
HBD
62.0
PSA (Ų)
0.10
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H42FNO3
MW 471.66
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
30144699 10.1016/j.ejmech.2018.08.038 Monoglyceride lipase 1

Data from ChEMBL 36 via Core Engine