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Compound Detail

CHEMBL100922

(E)-3,4-STILBENDIOL
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Oc1ccc(/C=C/c2ccccc2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100922
Name (E)-3,4-STILBENDIOL
Phase Preclinical
Structure Type MOL
InChI Key MLQDDSFDIGRHMD-VOTSOKGWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
3.27
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H12O2
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-009-9236-2 No relevant target 6
19271734 10.1021/jm8015415 HL-60 3
19271734 10.1021/jm8015415 NON-PROTEIN TARGET 2
19271734 10.1021/jm8015415 PBL 2
21314127 10.1021/jf104742n Botrytis cinerea 2
8411012 10.1021/jm00072a015 Tyrosine-protein kinase Lck 1
19271734 10.1021/jm8015415 Thymocyte 1
19271734 10.1021/jm8015415 Unchecked 1
21314127 10.1021/jf104742n Phomopsis obscurans 1
21314127 10.1021/jf104742n Diaporthe ampelina 1
21314127 10.1021/jf104742n No relevant target 1
- 10.1007/s00044-009-9236-2 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine