EcoDrugPlus


Synonyms	Cis-zimelidine Normud Zelmid Zimeldine Zimelidine
Status
Molecule Category	Free-form
ATC	N06AB02
UNII	3J928617DW
EPA CompTox	DTXSID6048462

Synonyms

Cis-zimelidine

Normud

Zelmid

Zimeldine

Zimelidine

Status

Molecule Category

Free-form

ATC

N06AB02

UNII

3J928617DW

EPA CompTox

DTXSID6048462


InChI Key	OYPPVKRFBIWMSX-SXGWCWSVSA-N
Smiles	CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1
InChI	InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-

InChI Key

OYPPVKRFBIWMSX-SXGWCWSVSA-N

Smiles

CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1

InChI

InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9-

Property Name	Value
Molecular Formula	C16H17BrN2
Molecular Weight	317.23
AlogP	3.84
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	16.13
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H17BrN2

Molecular Weight

317.23

AlogP

3.84

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

16.13

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	34.6

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Ion channel Voltage-gated ion channel Voltage-gated sodium channel

34.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	34.6
Rattus norvegicus	-	100	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Cavia porcellus

34.6

Rattus norvegicus

100

Resources	Reference
ChEBI	135357
ChEMBL	CHEMBL37744
DrugBank	DB04832
DrugCentral	2863
FDA SRS	3J928617DW
PubChem	5365247
SureChEMBL	SCHEMBL35029
ZINC	ZINC000008099545

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

ZINC

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...

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Last update: Monday, 3 November 2025

ZIMELDINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References