chloroquine (CHEBI:3638)

CHEBI:3638 - chloroquine

ChEBI ID	CHEBI:3638
ChEBI Name	chloroquine
Stars
Definition	An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.
Last Modified	23 April 2020
Downloads	Molfile

Formula	C18H26ClN3
Net Charge	0
Average Mass	319.880
Monoisotopic Mass	319.18153
SMILES	CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChI	InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
InChIKey	WHTVZRBIWZFKQO-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. antiviral agent A substance that destroys or inhibits replication of viruses. anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. autophagy inhibitor Any compound that inhibits the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
Applications:	anti-anaemic agent A compound which increases either the number of red cells or the amount of haemoglobin in the blood. dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antirheumatic drug A drug used to treat rheumatoid arthritis. antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.

ChEBI Ontology

Outgoing Relation(s)
	chloroquine (CHEBI:3638) has role anti-anaemic agent (CHEBI:75835)
	chloroquine (CHEBI:3638) has role anti-HIV agent (CHEBI:64946)
	chloroquine (CHEBI:3638) has role anticoronaviral agent (CHEBI:149553)
	chloroquine (CHEBI:3638) has role antimalarial (CHEBI:38068)
	chloroquine (CHEBI:3638) has role antineoplastic agent (CHEBI:35610)
	chloroquine (CHEBI:3638) has role antirheumatic drug (CHEBI:35842)
	chloroquine (CHEBI:3638) has role antiviral agent (CHEBI:22587)
	chloroquine (CHEBI:3638) has role autophagy inhibitor (CHEBI:88230)
	chloroquine (CHEBI:3638) has role dermatologic drug (CHEBI:50177)
	chloroquine (CHEBI:3638) is a aminoquinoline (CHEBI:36709)
	chloroquine (CHEBI:3638) is a organochlorine compound (CHEBI:36683)
	chloroquine (CHEBI:3638) is a secondary amino compound (CHEBI:50995)
	chloroquine (CHEBI:3638) is a tertiary amino compound (CHEBI:50996)
	chloroquine (CHEBI:3638) is conjugate base of chloroquine(2+) (CHEBI:149484)
Incoming Relation(s)
	hydroxychloroquine (CHEBI:5801) has functional parent chloroquine (CHEBI:3638)
	chloroquine sulfate (CHEBI:50178) has part chloroquine (CHEBI:3638)
	(R)-chloroquine (CHEBI:48811) is a chloroquine (CHEBI:3638)
	(S)-chloroquine (CHEBI:39254) is a chloroquine (CHEBI:3638)
	chloroquine(2+) (CHEBI:149484) is conjugate acid of chloroquine (CHEBI:3638)

IUPAC Name
N⁴-(7-chloroquinolin-4-yl)-N¹,N¹-diethylpentane-1,4-diamine

Synonyms	Source
Chlorochin	ChemIDplus
Chloroquine	KEGG COMPOUND
N⁴-(7-chloro-4-quinolinyl)-N¹,N¹-diethyl-1,4-pentanediamine	NIST Chemistry WebBook
NSC-187208	ChEMBL

Citations