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Compound Detail

CHEMBL223940

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C=C(COC(C)=O)[C@H]1Oc2ccc(C(C)=O)cc2[C@H]1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223940
Phase Preclinical
Structure Type MOL
InChI Key STNMHRXLVQEUHH-IAGOWNOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.37
ALogP
6
HBA
0
HBD
78.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18O6
MW 318.33
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.44

Literature References

PubMed DOI Target Context # Activities
17315926 10.1021/np060581r Unchecked 1

Data from ChEMBL 36 via Core Engine