AQ-13 FREE BASE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22ClN3
Molecular Weight	291.819
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCCNC1=CC=NC2=CC(Cl)=CC=C12

InChI

InChIKey=NCPLTAGJJVCHOW-UHFFFAOYSA-N

InChI=1S/C16H22ClN3/c1-3-20(4-2)11-5-9-18-15-8-10-19-16-12-13(17)6-7-14(15)16/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H22ClN3
Molecular Weight	291.819
Charge	0
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/30577704 | https://www.ncbi.nlm.nih.gov/pubmed/17213921

AQ-13 is a drug candidate in development for the treatment of Plasmodium falciparum infections. The chemical structure is similar to chloroquine, a 4-aminoquinoline, with a shorter diaminoalkane side chain. The outstanding attribute of AQ-13 is its retrieval of activity against chloroquine-resistant P.falciparum. The most likely future indication of AQ-13 could be case management of uncomplicated falciparum malaria - as a partner drug in a combination therapy.

Originator

Approval Year

PubMed

Title	Date	PubMed
AQ-13 - an investigational antimalarial drug.	2019 Mar	30577704

Sample Use Guides

In Vivo Use Guide

10, 100, 300, 600, and 1,500 mg oral doses

Route of Administration: Oral

In Vitro Use Guide

AQ-13 inhibited NO production by LPS-stimulated mouse macrophage-like cells with IC50 value of 8 uM.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:15:49 UTC 2023` Edited by `admin` on `Sat Dec 16 05:15:49 UTC 2023`
Record UNII	4K7VT5621X
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AQ-13 FREE BASE

Common Name

English

N'-(7-CHLOROQUINOLIN-4-YL)-N,N-DIETHYL-PROPANE-1,3-DIAMINE

Systematic Name

English

SN-9584

Code

English

RO-470543

Code

English

RO-47-0543

Code

English

1,3-PROPANEDIAMINE, N'-(7-CHLORO-4-QUINOLINYL)-N,N-DIETHYL-

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

494715