Drug Information

Drug (ID: DG00211) and It's Reported Resistant Information

Name	AQ-13
Synonyms	AQ-13 Dihydrochloride; 169815-40-1; UNII-PKT9732S5K; AQ 13; PKT9732S5K; DTXSID10168761; (N1-(7-Chloroquinolin-4-yl)-3-(N3,N3-diethylamino)propylamine) dihydrochloride; HY-100358; CS-0018673; 1,3-Propanediamine, N'-(7-chloro-4-quinolinyl)-N,N-diethyl-, dihydrochloride Click to Show/Hide
Indication	In total 1 Indication(s) Malaria [ICD-11: 1F45] Phase 2 [1]
Structure
Drug Resistance Disease(s)	*Disease(s) with Resistance Information Validated by in-vivo* Model for This Drug** (1 diseases) Astrocytoma [ICD-11: 2F36] [1]
Target	Duffy antigen chemokine receptor (ACKR1)	ACKR1_HUMAN	[1]
Click to Show/Hide the Molecular Information and External Link(s) of This Drug
Formula	C16H24Cl3N3
IsoSMILES	CCN(CC)CCCNC1=C2C=CC(=CC2=NC=C1)Cl.Cl.Cl
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
InChIKey	ZNHBPWZRWNFJPN-UHFFFAOYSA-N
PubChem CID	9820475
TTD Drug ID	D0L1VI

Type(s) of Resistant Mechanism of This Drug

IDUE: Irregularity in Drug Uptake and Drug Efflux

Drug Resistance Data Categorized by Their Corresponding Diseases

ICD-02: Benign/in-situ/malignant neoplasm

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Astrocytoma [ICD-11: 2F36]

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Drug Resistance Data Categorized by Their Corresponding Mechanisms
Irregularity in Drug Uptake and Drug Efflux (IDUE)		Click to Show/Hide
Key Molecule: Chloroquine resistance transporter (CRT)			[1]
Molecule Alteration	Missense mutation	p.K76T	Molecule Info
Resistant Disease	Malaria [ICD-11: 1F45.0]		Disease Info
Experimental Note	Discovered Using In-vivo Testing Model
In Vitro Model	Plasmodium falciparum strains		5833
Experiment for Molecule Alteration	MIP probes and PCR sequencing assay
Experiment for Drug Resistance	SYBR Green I detection assay
Mechanism Description	Notably, the PfCRT Lys76Thr substitution was associated with significantly decreased susceptibility to chloroquine, monodesethylamodiaquine, and AQ-13; associations with other aminoquinolines were not conclusive.

References

Ref 1	Drug susceptibility of Plasmodium falciparum in eastern Uganda: a longitudinal phenotypic and genotypic study. Lancet Microbe. 2021 Sep;2(9):e441-e449. doi: 10.1016/s2666-5247(21)00085-9. Epub 2021 Jun 18.