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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: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. 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: | antirheumatic drug A drug used to treat rheumatoid arthritis. 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. |
| 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 |
|---|