AQ-13

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22ClN3.2ClH
Molecular Weight	364.741
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZNHBPWZRWNFJPN-UHFFFAOYSA-N

InChI=1S/C16H22ClN3.2ClH/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);2*1H

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

Molecular Formula	ClH
Molecular Weight	36.461
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
Sontochin as a guide to the development of drugs against chloroquine-resistant malaria.	2012 Jul	22508305
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 `Fri Dec 15 19:21:53 UTC 2023` Edited by `admin` on `Fri Dec 15 19:21:53 UTC 2023`
Record UNII	PKT9732S5K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AQ-13

Common Name

English

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

Common Name

English

AQ 13

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

266808