EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3638 - chloroquine
| 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: | 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. 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). anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. |
| Applications: | dermatologic drug A drug used to treat or prevent skin disorders or for the routine care of skin. 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. antirheumatic drug A drug used to treat rheumatoid arthritis. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| chloroquine (CHEBI:3638) has role anticoronaviral agent (CHEBI:149553) |
| chloroquine (CHEBI:3638) has role antimalarial (CHEBI:38068) |
| chloroquine (CHEBI:3638) has role antirheumatic drug (CHEBI:35842) |
| 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 |
| INNs | Source |
|---|---|
| chloroquine | WHO MedNet |
| chloroquine | ChemIDplus |
| chloroquinum | ChemIDplus |
| cloroquina | ChemIDplus |
| Synonyms | Source |
|---|---|
| Chlorochin | ChemIDplus |
| Chloroquine | KEGG COMPOUND |
| N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine | NIST Chemistry WebBook |
| Brand Names | Source |
|---|---|
| Aralen | DrugBank |
| Artrichin | DrugBank |
| Bemaphate | DrugBank |
| Capquin | DrugBank |
| Nivaquine B | DrugBank |
| Resoquine | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| 607 | DrugCentral |
| C07625 | KEGG COMPOUND |
| Chloroquine | Wikipedia |
| CLQ | PDBeChem |
| D02366 | KEGG DRUG |
| DB00608 | DrugBank |
| DE683692 | Patent |
| HMDB0014746 | HMDB |
| LSM-1901 | LINCS |
| US2233970 | Patent |
| Citations |
|---|