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Compound Detail

CHEMBL1164140

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CCc1ccc(Cc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164140
Phase Preclinical
Structure Type MOL
InChI Key XPFCYOSFYXZEJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
5.91
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28O3
MW 376.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.06

Literature References

PubMed DOI Target Context # Activities
20226573 10.1016/j.ejmech.2010.02.041 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine