GSK-369796 DIHYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22ClN3O.2ClH
Molecular Weight	428.783
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CC(C)(C)NCC1=CC=C(NC2=C3C=CC(Cl)=CC3=NC=C2)C=C1O

InChI

InChIKey=UDVALKJFXQVZSI-UHFFFAOYSA-N

InChI=1S/C20H22ClN3O.2ClH/c1-20(2,3)23-12-13-4-6-15(11-19(13)25)24-17-8-9-22-18-10-14(21)5-7-16(17)18;;/h4-11,23,25H,12H2,1-3H3,(H,22,24);2*1H

HIDE SMILES / InChI

Molecular Formula	C20H22ClN3O
Molecular Weight	355.861
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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Ferriprotoporphyrin IX 44 Target ID: CHEMBL613897 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19222165	Binding Agent 1076

PubMed

Title	Date	PubMed
Synthesis, β-hematin inhibition studies and antimalarial evaluation of new dehydroxy isoquine derivatives against Plasmodium berghei: A promising antimalarial agent.	2018-03-25	29126722
Antiviral activities of selected antimalarials against dengue virus type 2 and Zika virus.	2017-01	27889529
Synthesis, antimalarial activity, and preclinical pharmacology of a novel series of 4'-fluoro and 4'-chloro analogues of amodiaquine. Identification of a suitable "back-up" compound for N-tert-butyl isoquine.	2009-04-09	19284751
Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for the 21st century.	2009-03-12	19222165

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:27:43 GMT 2025` Edited by `admin` on `Tue Apr 01 16:27:43 GMT 2025`
Record UNII	6W7T5AWQ47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GSK-369796 DIHYDROCHLORIDE

Common Name

English

AKOS015994550

Preferred Name

English

DE-0055

Code

English

GSK369796 DIHYDROCHLORIDE

Code

English

2-((TERT-BUTYLAMINO)METHYL)-5-((7-CHLORO-4-QUINOLYL)AMINO)PHENOL HYDROCHLORIDE

Systematic Name

English

5-((7-CHLORO-4-QUINOLINYL)AMINO)-2-(((1,1-DIMETHYLETHYL)AMINO)METHYL)PHENOL DIHYDROCHLORIDE

Systematic Name

English

KB-272651

Code

English

MOLPORT-009-194-119

Code

English

PHENOL, 5-((7-CHLORO-4-QUINOLINYL)AMINO)-2-(((1,1-DIMETHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

6W7T5AWQ47

Created by admin on Tue Apr 01 16:27:43 GMT 2025 , Edited by admin on Tue Apr 01 16:27:43 GMT 2025

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MANUFACTURER PRODUCT INFORMATION

GSK-369796

Created by admin on Tue Apr 01 16:27:43 GMT 2025 , Edited by admin on Tue Apr 01 16:27:43 GMT 2025

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Quick Overview: Shows antimalerial activity with IC50 values of 11.2 nM for 3D7 strain, 12.6 nM for HB3 strain, 17.6 nM for K1 strain.

PUBCHEM

51071988

Created by admin on Tue Apr 01 16:27:43 GMT 2025 , Edited by admin on Tue Apr 01 16:27:43 GMT 2025

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CAS

1010411-21-8

Created by admin on Tue Apr 01 16:27:43 GMT 2025 , Edited by admin on Tue Apr 01 16:27:43 GMT 2025

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Related Record Type Details


					6W7T5AWQ47

GSK-369796 DIHYDROCHLORIDE

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