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Compound Detail

CHEMBL3099446

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COC(=O)C1=C/c2cc3c(cc2-c2c(cc(OC)c(OC)c2OC)\C=C/1C(=O)OC)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099446
Phase Preclinical
Structure Type MOL
InChI Key BYLISLHJPLIGTL-IWXYWTNYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
3.23
ALogP
9
HBA
0
HBD
98.8
PSA (Ų)
0.63
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 C24H22O9
MW 454.43
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.79

Literature References

PubMed DOI Target Context # Activities
24315191 10.1016/j.bmc.2013.11.018 Unchecked 1
24315191 10.1016/j.bmc.2013.11.018 NON-PROTEIN TARGET 1
24315191 10.1016/j.bmc.2013.11.018 KB 1
24315191 10.1016/j.bmc.2013.11.018 A549 1

Data from ChEMBL 36 via Core Engine