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Compound Detail

CHEMBL1163212

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O=Cc1ccc(/C=C2\Oc3cccc(OCC4CCCCC4)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1163212
Phase Preclinical
Structure Type MOL
InChI Key WBYPTZQRQQDVKP-BKUYFWCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
5.07
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22O4
MW 362.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.05

Literature References

PubMed DOI Target Context # Activities
20472438 10.1016/j.bmc.2010.04.075 Interleukin-5 2

Data from ChEMBL 36 via Core Engine