EcoDrugPlus


Synonyms	Chrysazin Danthron Dantron Dorbane Istizin NSC-38626 NSC-646568 Pilules vinchy n.f.
Status
Molecule Category	Free-form
UNII	Z4XE6IBF3V
EPA CompTox	DTXSID9020328

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	QBPFLULOKWLNNW-UHFFFAOYSA-N
Smiles	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
Polar Surface Area	74.6
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Mechanism of Action	Action	Reference
Retinoid X receptor alpha antagonist	ANTAGONIST	PubMed PubMed PubMed PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Human herpesvirus 4	-	-	-	-	23.8-94.2
Streptococcus mutans	-	-	-	-	91.3

Target Conservation


Protein: Retinoid X receptor alpha Description: Retinoic acid receptor RXR-alpha Organism : Homo sapiens P19793 ENSG00000186350

Cross References

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

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DANTHRON

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References