EcoDrugPlus


Synonyms	A 3322 A-3322 Metapyrilene Methapyrilene Pyrinistol Restryl Semikon Sleepwell Tenalin Thionylan
Status
Molecule Category	Free-form
ATC	R06AC05
UNII	A01LX40298
EPA CompTox	DTXSID2023278


InChI Key	HNJJXZKZRAWDPF-UHFFFAOYSA-N
Smiles	CN(C)CCN(Cc1cccs1)c1ccccn1
InChI	InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3

Property Name	Value
Molecular Formula	C14H19N3S
Molecular Weight	261.39
AlogP	2.71
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	6.0
Polar Surface Area	19.37
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	18.0

Resources	Reference
ChEBI	6820
ChEMBL	CHEMBL1411979
DrugBank	DB04819
DrugCentral	1738
FDA SRS	A01LX40298
KEGG	C11114
PubChem	4098
SureChEMBL	SCHEMBL19209
ZINC	ZINC000002510048

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

METHAPYRILENE

Structure

Physicochemical Descriptors

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