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Compound Detail

CHEMBL4162488

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COc1ccc(COc2cccc3c2C(=O)/C(=C/c2ccc(C)cc2)C3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162488
Phase Preclinical
Structure Type MOL
InChI Key ULKGHOPPBOGSDP-KGENOOAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
5.41
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.56
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 C25H22O3
MW 370.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.25

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