EcoDrugPlus


Synonyms	Tocainide W-36095
Status
Molecule Category	Free-form
ATC	C01BB03
UNII	27DXO59SAN
EPA CompTox	DTXSID9040766


InChI Key	BUJAGSGYPOAWEI-UHFFFAOYSA-N
Smiles	Cc1cccc(C)c1NC(=O)C(C)N
InChI	InChI=1S/C11H16N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)

Property Name	Value
Molecular Formula	C11H16N2O
Molecular Weight	192.26
AlogP	1.59
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	55.12
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Pelophylax esculentus	-	-	-	-	42.6

Resources	Reference
ChEBI	9611
ChEMBL	CHEMBL1762
DrugBank	DB01056
DrugCentral	2686
FDA SRS	27DXO59SAN
Human Metabolome Database	HMDB0015189
Guide to Pharmacology	7309
KEGG	C07142
PharmGKB	PA451706
PubChem	38945
SureChEMBL	SCHEMBL15761

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

TOCAINIDE

Structure

Physicochemical Descriptors

Pharmacology

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