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Compound Detail

CHEMBL4173792

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COCOc1ccccc1CC1Cc2cccc(OCC3CCCCC3)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173792
Phase Preclinical
Structure Type MOL
InChI Key CIHAXBBQSJGPRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
5.23
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O4
MW 394.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.28

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