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CHEBI:49845 - (R)-quinacrine
| Formula | C23H30ClN3O |
| Net Charge | 0 |
| Average Mass | 399.966 |
| Monoisotopic Mass | 399.20774 |
| SMILES | CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |
| InChI | InChI=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-/m1/s1 |
| InChIKey | GPKJTRJOBQGKQK-MRXNPFEDSA-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. |
| Application: | 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) |
| (R)-quinacrine (CHEBI:49845) is a quinacrine (CHEBI:8711) |
| (R)-quinacrine (CHEBI:49845) is enantiomer of (S)-quinacrine (CHEBI:37597) |
| Incoming Relation(s) |
| (S)-quinacrine (CHEBI:37597) is enantiomer of (R)-quinacrine (CHEBI:49845) |
| IUPAC Name |
|---|
| (4R)-N4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine |
| Synonym | Source |
|---|---|
| QUINACRINE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| QUN | PDBeChem |