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CHEBI:6076 - itraconazole
| Formula | C35H38Cl2N8O4 |
| Net Charge | 0 |
| Average Mass | 705.647 |
| Monoisotopic Mass | 704.23931 |
| SMILES | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O |
| InChI | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1 |
| InChIKey | VHVPQPYKVGDNFY-ZPGVKDDISA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | P450 inhibitor An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances. anti-obesity agent Any substance which is used to reduce or control weight. 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. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor An EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of xenobiotic-transporting ATPase (EC 3.6.3.44). Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. antiviral agent A substance that destroys or inhibits replication of viruses. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. antifibrotic agent Any agent which acts to reduce fibrosis. 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. anti-inflammatory agent Any compound that has anti-inflammatory effects. anticoagulant An agent that prevents blood clotting. anti-asthmatic agent Any compound that has anti-asthmatic effects. vasodilator agent A drug used to cause dilation of the blood vessels. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| itraconazole (CHEBI:6076) has role analgesic (CHEBI:35480) |
| itraconazole (CHEBI:6076) has role anti-asthmatic agent (CHEBI:65023) |
| itraconazole (CHEBI:6076) has role anti-HBV agent (CHEBI:64951) |
| itraconazole (CHEBI:6076) has role anti-inflammatory agent (CHEBI:67079) |
| itraconazole (CHEBI:6076) has role anti-obesity agent (CHEBI:74518) |
| itraconazole (CHEBI:6076) has role antibacterial agent (CHEBI:33282) |
| itraconazole (CHEBI:6076) has role anticoagulant (CHEBI:50249) |
| itraconazole (CHEBI:6076) has role antifibrotic agent (CHEBI:233423) |
| itraconazole (CHEBI:6076) has role antiinfective agent (CHEBI:35441) |
| itraconazole (CHEBI:6076) has role antimalarial (CHEBI:38068) |
| itraconazole (CHEBI:6076) has role antineoplastic agent (CHEBI:35610) |
| itraconazole (CHEBI:6076) has role antiviral agent (CHEBI:22587) |
| itraconazole (CHEBI:6076) has role cardiovascular drug (CHEBI:35554) |
| itraconazole (CHEBI:6076) has role EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor (CHEBI:77748) |
| itraconazole (CHEBI:6076) has role Hedgehog signaling pathway inhibitor (CHEBI:140921) |
| itraconazole (CHEBI:6076) has role P450 inhibitor (CHEBI:50183) |
| itraconazole (CHEBI:6076) has role vasodilator agent (CHEBI:35620) |
| itraconazole (CHEBI:6076) is a N-arylpiperazine (CHEBI:46848) |
| itraconazole (CHEBI:6076) is a aromatic ether (CHEBI:35618) |
| itraconazole (CHEBI:6076) is a conazole antifungal drug (CHEBI:87071) |
| itraconazole (CHEBI:6076) is a cyclic ketal (CHEBI:59779) |
| itraconazole (CHEBI:6076) is a dichlorobenzene (CHEBI:23697) |
| itraconazole (CHEBI:6076) is a dioxolane (CHEBI:39430) |
| itraconazole (CHEBI:6076) is a triazole antifungal drug (CHEBI:87101) |
| itraconazole (CHEBI:6076) is a triazoles (CHEBI:35727) |
| IUPAC Name |
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| 2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
| INN | Source |
|---|---|
| itraconazol | WHO MedNet |
| Synonyms | Source |
|---|---|
| Candistat | ChEMBL |
| Cladosal 100 | ChEMBL |
| Fungitraxx | ChEMBL |
| Itrac | ChEMBL |
| Itraconazole | KEGG DRUG |
| Itralek | ChEMBL |
| Brand Names | Source |
|---|---|
| Itraconazole component of suba- | ChEMBL |
| Sporanox | ChEMBL |
| Sporanox i.v. | ChEMBL |
| Sporanox-pulse | ChEMBL |
| UniProt Name | Source |
|---|---|
| itraconazole | UniProt |
| Registry Numbers | Sources |
|---|---|
| CAS:84625-61-6 | KEGG DRUG |
| CAS:84625-61-6 | ChemIDplus |
| Citations |
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