EcoDrugPlus


Synonyms	EVP-6124 EVP-6124 HYDROCHLORIDE Encenicline hydrochloride
Status
Molecule Category	Salt-form
UNII	VYV1YE9W06
EPA CompTox	DTXSID40673090

Synonyms

EVP-6124

EVP-6124 HYDROCHLORIDE

Encenicline hydrochloride

Status

Molecule Category

Salt-form

UNII

VYV1YE9W06

EPA CompTox

DTXSID40673090


InChI Key	OIJYTJGIDVTCFF-ZOWNYOTGSA-N
Smiles	Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1
InChI	InChI=1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1

InChI Key

OIJYTJGIDVTCFF-ZOWNYOTGSA-N

Smiles

Cl.O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(Cl)c2s1

InChI

InChI=1S/C16H17ClN2OS.ClH/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19;/h1-3,8,10,13H,4-7,9H2,(H,18,20);1H/t13-;/m0./s1

Property Name	Value
Molecular Formula	C16H18Cl2N2OS
Molecular Weight	357.31
AlogP	3.38
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	32.34
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H18Cl2N2OS

Molecular Weight

357.31

AlogP

3.38

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

32.34

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
ChEMBL	CHEMBL3137323
FDA SRS	VYV1YE9W06
PubChem	46208542
SureChEMBL	SCHEMBL744202

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

ENCENICLINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References