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Compound Detail

CHEMBL510154

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COc1cc(/C=C\c2ccc(OC)c(N)c2)cc(OCC(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510154
Phase Preclinical
Structure Type MOL
InChI Key CCQFSLCFRQXQOL-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.92
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19NO5
MW 329.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
19117761 10.1016/j.bmc.2008.12.002 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine