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Compound Detail

CHEMBL4171974

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COc1ccc(/C=C2\Cc3cccc(OCC4CCCCC4)c3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171974
Phase Preclinical
Structure Type MOL
InChI Key RXGBYEJTQTWJAN-XSFVSMFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
5.48
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.66
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 C24H26O3
MW 362.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.14

Literature References

PubMed DOI Target Context # Activities
29689475 10.1016/j.ejmech.2018.04.030 Interleukin-5 2

Data from ChEMBL 36 via Core Engine