EcoDrugPlus


Synonyms	Centanafadine hydrochloride DOV 216,419 DOV 216,419 HYDROCHLORIDE DOV-216419 HYDROCHLORIDE EB-1020 EB-1020 HYDROCHLORIDE
Status
Molecule Category	Salt-form
UNII	265DN9X85W

Synonyms

Centanafadine hydrochloride

DOV 216,419

DOV 216,419 HYDROCHLORIDE

DOV-216419 HYDROCHLORIDE

EB-1020

EB-1020 HYDROCHLORIDE

Status

Molecule Category

Salt-form

UNII

265DN9X85W


InChI Key	ACVMJAJGCQUPKX-LIOBNPLQSA-N
Smiles	Cl.c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1
InChI	InChI=1S/C15H15N.ClH/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15;/h1-7,14,16H,8-10H2;1H/t14-,15+;/m1./s1

InChI Key

ACVMJAJGCQUPKX-LIOBNPLQSA-N

Smiles

Cl.c1ccc2cc([C@]34CNC[C@H]3C4)ccc2c1

InChI

InChI=1S/C15H15N.ClH/c1-2-4-12-7-13(6-5-11(12)3-1)15-8-14(15)9-16-10-15;/h1-7,14,16H,8-10H2;1H/t14-,15+;/m1./s1

Property Name	Value
Molecular Formula	C15H16ClN
Molecular Weight	245.75
AlogP	2.7
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	12.03
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C15H16ClN

Molecular Weight

245.75

AlogP

2.7

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

12.03

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

16.0

Resources	Reference
ChEMBL	CHEMBL3301615
FDA SRS	265DN9X85W
PubChem	68943792
SureChEMBL	SCHEMBL4176916

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

CENTANAFADINE HYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References