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Compound Detail

CHEMBL2377393

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O=C(CCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2377393
Phase Preclinical
Structure Type MOL
InChI Key IEBRRUXXNDPEEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
5.57
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26O4
MW 390.48
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
23523388 10.1016/j.bmc.2013.02.037 Interleukin-5 2

Data from ChEMBL 36 via Core Engine