DANTHRON

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z4XE6IBF3V

Structure
InChI Key QBPFLULOKWLNNW-UHFFFAOYSA-N
Smile O=C1c2cccc(O)c2C(=O)c2c(O)cccc21
InChI
InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H8O4
Molecular Weight 240.21
AlogP 1.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Retinoid X receptor alpha antagonist PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 4.414
Enzyme Oxidoreductase
- 10700 - - -
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -4.52-55.45
Epigenetic regulator Eraser Histone deacetylase HDAC class III
- - - - 17

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3682
ChEMBL CHEMBL53418
DrugBank DB04816
DrugCentral 3125
EPA CompTox DTXSID9020328
FDA SRS Z4XE6IBF3V
Human Metabolome Database HMDB0029752
KEGG C10312
PDB CHZ
PubChem 2950
SureChEMBL SCHEMBL83688
ZINC ZINC000003860369
CONTENTS