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Compound Detail

CHEMBL437678

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COCOc1ccc(/C=C/C(=O)c2c(O)cccc2OCC2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL437678
Phase Preclinical
Structure Type MOL
InChI Key RQPALBCVGBVANT-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
5.23
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28O5
MW 396.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
17064909 10.1016/j.bmc.2006.10.007 Unchecked 2

Data from ChEMBL 36 via Core Engine