EcoDrugPlus


Synonyms	(-)-MSP-2017 Etripamil MS)-MSP-2017 MSP-2017
Status
Molecule Category	Free-form
UNII	S82A18Y42P


InChI Key	VAZNEHLGJGSQEL-MHZLTWQESA-N
Smiles	COC(=O)c1cccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1
InChI	InChI=1S/C27H36N2O4/c1-20(2)27(19-28,23-11-12-24(31-4)25(18-23)32-5)14-8-15-29(3)16-13-21-9-7-10-22(17-21)26(30)33-6/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t27-/m0/s1

Property Name	Value
Molecular Formula	C27H36N2O4
Molecular Weight	452.6
AlogP	4.86
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	12.0
Polar Surface Area	71.79
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	33.0

Resources	Reference
ChEMBL	CHEMBL3707312
DrugBank	DB12605
FDA SRS	S82A18Y42P
PubChem	91824132
ZINC	ZINC000142261274

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

ETRIPAMIL

Structure

Physicochemical Descriptors

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