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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=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

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.

Approval Year

PubMed

PubMed

TitleDatePubMed

Sample Use Guides

10, 100, 300, 600, and 1,500 mg oral doses
Route of Administration: Oral
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 GMT 2023
Edited
by admin
on Sat Dec 16 05:15:49 GMT 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
Created by admin on Sat Dec 16 05:15:49 GMT 2023 , Edited by admin on Sat Dec 16 05:15:49 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID10186268
Created by admin on Sat Dec 16 05:15:49 GMT 2023 , Edited by admin on Sat Dec 16 05:15:49 GMT 2023
PRIMARY
CAS
32571-49-6
Created by admin on Sat Dec 16 05:15:49 GMT 2023 , Edited by admin on Sat Dec 16 05:15:49 GMT 2023
PRIMARY
FDA UNII
4K7VT5621X
Created by admin on Sat Dec 16 05:15:49 GMT 2023 , Edited by admin on Sat Dec 16 05:15:49 GMT 2023
PRIMARY
PUBCHEM
3805581
Created by admin on Sat Dec 16 05:15:49 GMT 2023 , Edited by admin on Sat Dec 16 05:15:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET ORGANISM->INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY