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Compound Detail

CHEMBL4175242

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

Basic Information

ChEMBL ID CHEMBL4175242
Phase Preclinical
Structure Type MOL
InChI Key ZBNAGORMSKKIJC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
2.97
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O4
MW 298.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.87

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