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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 of AQ-13 FREE BASE

SMILES

CCN(CC)CCCNC1=C2C=CC(Cl)=CC2=NC=C1

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

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
Record UNII
4K7VT5621X
Record Status Validated (UNII)
Record Version