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Compound Detail

CHEMBL491832

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COc1cc(CN2CCC(=O)CC2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491832
Phase Preclinical
Structure Type MOL
InChI Key PYIBHSYPKDAXCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.3
MW (Da)
1.88
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.82
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 C15H21NO4
MW 279.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.27

Literature References

PubMed DOI Target Context # Activities
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine