EcoDrugPlus


Synonyms	Eleclazine GS-6615
Status
Molecule Category	Free-form
UNII	PUY08529FK

Synonyms

Eleclazine

GS-6615

Status

Molecule Category

Free-form

UNII

PUY08529FK


InChI Key	YNUAEEJQYHYLMS-UHFFFAOYSA-N
Smiles	O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1
InChI	InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2

InChI Key

YNUAEEJQYHYLMS-UHFFFAOYSA-N

Smiles

O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1

InChI

InChI=1S/C21H16F3N3O3/c22-21(23,24)30-16-5-2-14(3-6-16)15-4-7-18-17(12-15)20(28)27(10-11-29-18)13-19-25-8-1-9-26-19/h1-9,12H,10-11,13H2

Property Name	Value
Molecular Formula	C21H16F3N3O3
Molecular Weight	415.37
AlogP	4.08
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	4.0
Polar Surface Area	64.55
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C21H16F3N3O3

Molecular Weight

415.37

AlogP

4.08

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

4.0

Polar Surface Area

64.55

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

30.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	100-600	-	-	24-53

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

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

100-600

24-53

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	100-880	-	-	24-53
Oryctolagus cuniculus	190	700	-	-	93

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

100-880

24-53

Oryctolagus cuniculus

190

700

Resources	Reference
ChEMBL	CHEMBL3707392
DrugBank	DB12394
FDA SRS	PUY08529FK
Guide to Pharmacology	8413
PubChem	71183216
SureChEMBL	SCHEMBL14480722
ZINC	ZINC000206191652

Resources

Reference

ChEMBL

CHEMBL3707392

DrugBank

DB12394

FDA SRS

PUY08529FK

Guide to Pharmacology

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ELECLAZINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References