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Compound Detail

CHEMBL192877

DAVIDIGENIN
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O=C(CCc1ccc(O)cc1)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL192877
Name DAVIDIGENIN
Phase Preclinical
Structure Type MOL
InChI Key UDGKKUWYNITJRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

258.3
MW (Da)
2.62
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.74
QED
0
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 C15H14O4
MW 258.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
28571822 10.1016/j.bmcl.2017.05.054 Hep 3B2 17
28571822 10.1016/j.bmcl.2017.05.054 NIH3T3 10
15887952 10.1021/jm0490538 Estrogen receptor 2
15887952 10.1021/jm0490538 Estrogen receptor beta 2
521818 10.1021/np50005a008 NON-PROTEIN TARGET 2
20058934 10.1021/np900466x Staphylococcus aureus 2
20058934 10.1021/np900466x Bacillus spizizenii 2
20058934 10.1021/np900466x Aspergillus niger 2
20058934 10.1021/np900466x Staphylococcus epidermidis 2
20058934 10.1021/np900466x Candida albicans 2
20058934 10.1021/np900466x Pseudomonas aeruginosa 2
20058934 10.1021/np900466x Escherichia coli 2
36940414 10.1021/acs.jmedchem.3c00012 Mushroom tyrosinase 2
20058934 10.1021/np900466x Radical scavenging activity 1
26690274 10.1021/acs.jnatprod.5b00774 MCF7 1
26690274 10.1021/acs.jnatprod.5b00774 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine