IDRONOXIL

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Search structure


Synonyms	Dehydroequol Idronoxil NV-06 Phenoxodiol
Status
Molecule Category	Free-form
UNII	995FT1W541
EPA CompTox	DTXSID50231029

Structure


InChI Key	ZZUBHVMHNVYXRR-UHFFFAOYSA-N
Smiles	Oc1ccc(C2=Cc3ccc(O)cc3OC2)cc1
InChI	InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C15H12O3
Molecular Weight	240.26
AlogP	3.03
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	49.69
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1	-	660.69	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	18-80
Rattus norvegicus	-	660.69	-	-	-

Cross References

Resources	Reference
ChEMBL	CHEMBL1957038
DrugBank	DB04915
FDA SRS	995FT1W541
SureChEMBL	SCHEMBL149612
ZINC	ZINC000001491943

CONTENTS

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...

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Last update: Monday, 3 November 2025