PYRVINIUM

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Search structure


Synonyms	Pyrvinium Pyrvinium (cation) Pyrvinium cation Pyrvinium hydroxide Pyrvinium ion Pyrvinum (base)
Status
Molecule Category	Free-form
ATC	P02CX01
UNII	6B9991FLU3
EPA CompTox	DTXSID2043795

Structure


InChI Key	QMHSXPLYMTVAMK-UHFFFAOYSA-N
Smiles	Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1
InChI	InChI=1S/C26H28N3/c1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5/h6-18H,1-5H3/q+1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H28N3+
Molecular Weight	382.53
AlogP	5.31
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	12.05
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	29.0

Pharmacology

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cryptosporidium parvum	-	354	-	-	-
Homo sapiens	-	592-750	-	-	-

Cross References

Resources	Reference
ChEBI	8687
ChEMBL	CHEMBL1201303
DrugBank	DB06816
DrugCentral	2335
FDA SRS	6B9991FLU3
Human Metabolome Database	HMDB0240273
KEGG	C07412
PubChem	22526
SureChEMBL	SCHEMBL149062
ZINC	ZINC000003831401

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