EcoDrugPlus


Synonyms	Acetrizoate Acetrizoic Acid Acetrizoic acid NSC-758681 Urokonic acid
Status
Molecule Category	Free-form
ATC	V08AA07
UNII	24256BQV7M
EPA CompTox	DTXSID2022549


InChI Key	GNOGSFBXBWBTIG-UHFFFAOYSA-N
Smiles	CC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I
InChI	InChI=1S/C9H6I3NO3/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16/h2H,1H3,(H,13,14)(H,15,16)

Property Name	Value
Molecular Formula	C9H6I3NO3
Molecular Weight	556.86
AlogP	3.16
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	66.4
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	98.63-133.07

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	98.63-133.07

Resources	Reference
ChEBI	34521
ChEMBL	CHEMBL1201327
DrugBank	DB09347
DrugCentral	63
FDA SRS	24256BQV7M
KEGG	C14164
PubChem	6806
SureChEMBL	SCHEMBL20608774
ZINC	ZINC000003830175

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

ACETRIZOIC ACID

Structure

Physicochemical Descriptors

Pharmacology

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