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Compound Detail

CHEMBL403946

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COc1cc([C@@H]2Oc3c(c(OC)cc4ccc(=O)oc34)O[C@H]2CO)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL403946
Phase Preclinical
Structure Type MOL
InChI Key WODFFJOYEJBCNO-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
2.70
ALogP
9
HBA
1
HBD
105.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O9
MW 430.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 1.62

Literature References

PubMed DOI Target Context # Activities
18211005 10.1021/np070594k NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine