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Compound Detail

CHEMBL325769

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O=C1c2cccc(O)c2C(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(CO)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL325769
Phase Preclinical
Structure Type MOL
InChI Key SJFGNHVZJUSQBX-JNHRPPPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.4
MW (Da)
-1.16
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O10
MW 432.38
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.01

Literature References

PubMed DOI Target Context # Activities
11459643 10.1016/s0960-894x(01)00318-3 Estrogen receptor 3
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2

Data from ChEMBL 36 via Core Engine