FERROQUINE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H19ClN3.C5H5.Fe
Molecular Weight	433.755
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe++].[CH-]1C=CC=C1.CN(C)CC2=C[CH-]C=C2CNC3=CC=NC4=CC(Cl)=CC=C34

InChI

InChIKey=DDENDDKMBDTHAX-UHFFFAOYSA-N

InChI=1S/C18H19ClN3.C5H5.Fe/c1-22(2)12-14-5-3-4-13(14)11-21-17-8-9-20-18-10-15(19)6-7-16(17)18;1-2-4-5-3-1;/h3-10H,11-12H2,1-2H3,(H,20,21);1-5H;/q2*-1;+2

HIDE SMILES / InChI

Molecular Formula	Fe
Molecular Weight	55.845
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H5
Molecular Weight	65.0932
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H19ClN3
Molecular Weight	312.817
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/21894260 | https://www.ncbi.nlm.nih.gov/pubmed/29162859 | https://www.ncbi.nlm.nih.gov/mesh/67479230

FERROQUINE, a ferrocene-quinoline conjugate, is an antimalarial drug currently undergoing a clinical evaluation. It is also a promising candidate for repositioning as cancer therapeutics.

CNS Activity

Originator

Approval Year

PubMed

Title	Date	PubMed
Synthesis and antimalarial activity in vitro and in vivo of a new ferrocene-chloroquine analogue.	1997 Nov 7	9371235
Insights into the mechanism of action of ferroquine. Relationship between physicochemical properties and antiplasmodial activity.	2005 May-Jun	15934779
The antimalarial ferroquine: from bench to clinic.	2011 Aug	21894260
Ferroquine and its derivatives: new generation of antimalarial agents.	2015 Aug 28	26188909

Substance Class	Chemical Created by `admin` on `Thu Jul 06 22:41:25 UTC 2023` Edited by `admin` on `Thu Jul 06 22:41:25 UTC 2023`
Record UNII	8D81JS19ET
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FERROQUINE

Official Name

English

SSR-97193

Code

English

ferroquine [INN]

Common Name

English

SSR97193

Code

English

7-CHLORO-4-(((2-((DIMETHYLAMINO)METHYL)FERROCENYL)METHYL)AMINO)QUINOLONE

Common Name

English

Ferroquine [WHO-DD]

Common Name

English

FERROCHLOROQUINE

Common Name

English

FERROCENE, 1-(((7-CHLORO-4-QUINOLINYL)AMINO)METHYL)-2-((DIMETHYLAMINO)METHYL)-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C171721