Drug Information

Drug (ID: DG00365) and It's Reported Resistant Information

Name	Desethylamodiaquine
Synonyms	Desethylamodiaquine; Monodesethylamodiaquine; 79352-78-6; N-DESETHYL AMODIAQUINE; UNII-BY36SG7NP9; BY36SG7NP9; CHEMBL1235; 4-[(7-chloroquinolin-4-yl)amino]-2-(ethylaminomethyl)phenol; N-MONODESETHYLAMODIAQUINE (DEAQ); 4-((7-Chloroquinolin-4-yl)amino)-2-((ethylamino)methyl)phenol; N-Desethyl amodiaquine diHCl; N-desethylamodiaquine; bidesethylamodiaquine; 4-((7-Chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)phenol; DESETHYL AMODIAQUINE; SCHEMBL14067597; DTXSID20229630; BCP34368; ZINC5139697; BDBM50056190; AKOS025401980; SB73009; AC-27753; HY-128554; CS-0095816; FT-0665940; A933931; 4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl-phenol; 4-[(7-chloro-4-quinolyl)amino]-2-(ethylaminomethyl)phenol; Phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((ethylamino)methyl)-; N-Desethyl Amodiaquine-d5 Phenol,2-(aminomethyl)-4-[(7-chloro-4-quinolinyl)amino]- Click to Show/Hide
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]
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Formula	C18H18ClN3O
IsoSMILES	CCNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI	1S/C18H18ClN3O/c1-2-20-11-12-9-14(4-6-18(12)23)22-16-7-8-21-17-10-13(19)3-5-15(16)17/h3-10,20,23H,2,11H2,1H3,(H,21,22)
InChIKey	VRXFDHAGFYWGHT-UHFFFAOYSA-N
PubChem CID	122068

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.