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Compound Detail

CHEMBL2335721

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Oc1ccc([C@@H]2C[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)cc3)[C@H](O)C4)c3c(O)cc(O)cc3O2)cc1

Basic Information

ChEMBL ID CHEMBL2335721
Phase Preclinical
Structure Type MOL
InChI Key FWNROEJRQURIKY-YLJDVJNMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
4.61
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H26O9
MW 530.53
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness 1.84

Literature References

PubMed DOI Target Context # Activities
23268742 10.1021/np300614u MCF7 1
23268742 10.1021/np300614u Jurkat 1
23268742 10.1021/np300614u Vascular endothelial growth factor A, long form 1
23268742 10.1021/np300614u Placenta growth factor 1

Data from ChEMBL 36 via Core Engine