PAPAVERINE HYDROCHLORIDE

/static/temp/default.svg

Search structure


Synonyms	Artegodan Cardoverina NSC-35443 Papaver hcl Papaverine hcl Papaverine hydrochloride Papaverini hydrochloridum Pavabid Vasorin
Status
Molecule Category	Salt-form
UNII	23473EC6BQ
EPA CompTox	DTXSID9025825
Parent Compound:	PAPAVERINE

Structure


InChI Key	UOTMYNBWXDUBNX-UHFFFAOYSA-N
Smiles	COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.Cl
InChI	InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H22ClNO4
Molecular Weight	375.85
AlogP	3.86
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	49.81
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	25.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	-11.29-34.95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	113.69-266.89

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	113.69-266.89
Electrophorus electricus	-	-	-	-	34.95
Equus caballus	-	-	-	-
Mus musculus	-	-	-	-	1

Cross References

Resources	Reference
ChEMBL	CHEMBL98123
FDA SRS	23473EC6BQ
PubChem	6084
SureChEMBL	SCHEMBL121268

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...

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

Last update: Monday, 3 November 2025