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Compound Detail

CHEMBL455405

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

Basic Information

ChEMBL ID CHEMBL455405
Phase Preclinical
Structure Type MOL
InChI Key BXGFDQNQQDMZGZ-PLNGDYQASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
3.46
ALogP
8
HBA
2
HBD
104.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31NO8
MW 461.51
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.26

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