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Compound Detail

CHEMBL113536

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COc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113536
Phase Preclinical
Structure Type MOL
InChI Key MFMQRDLLSRLUJY-DXKBKAGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
0.75
ALogP
8
HBA
5
HBD
128.8
PSA (Ų)
0.45
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 C21H24O8
MW 404.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.58

Literature References

PubMed DOI Target Context # Activities
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2
9392877 10.1021/np970069t Platelet 2
29402747 10.1016/j.bmcl.2018.01.063 Estrogen receptor 2
- 10.1021/np50076a034 Unchecked 1
- 10.1021/np50076a034 Biomphalaria glabrata 1

Data from ChEMBL 36 via Core Engine