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CHEBI:37597 - (S)-quinacrine

Default Structure
ChEBI IDCHEBI:37597
ChEBI Name(S)-quinacrine
Stars
ASCII Name(S)-quinacrine
Last Modified30 January 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC23H30ClN3O
Net Charge0
Average Mass399.966
Monoisotopic Mass399.20774
SMILESCCN(CC)CCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12
InChIInChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m0/s1
InChIKeyGPKJTRJOBQGKQK-INIZCTEOSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor  An EC 1.8.1.* (oxidoreductase acting on sulfur group of donors, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of trypanothione-disulfide reductase (EC 1.8.1.12).
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:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
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.
antiamoebic agent  An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae.
ChEBI Ontology
Outgoing Relation(s)
(S)-quinacrine (CHEBI:37597) is a quinacrine (CHEBI:8711)
(S)-quinacrine (CHEBI:37597) is enantiomer of (R)-quinacrine (CHEBI:49845)
Incoming Relation(s)
(R)-quinacrine (CHEBI:49845) is enantiomer of (S)-quinacrine (CHEBI:37597)
IUPAC Name 
(4S)-N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine