Drug Details
| General Information of the Drug (ID: DR8760) | ||||
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| Name |
Itraconazole
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| Synonyms |
itraconazole; Oriconazole; 84625-61-6; Sporanox; Itrizole (TN); Sporanox (TN); ITCZ; Itraconazole (Sporanox); Itraconazol [Spanish]; Itraconazolum [Latin]; CHEMBL22587; C35H38Cl2N8O4; cis-Itraconazole; CHEBI:6076; 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one; ITZ; DSSTox_CID_3180; DSSTox_RID_76908; DSSTox_GSID_23180; 1-(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}-4,5-dihydro-1H-1,2,4-triazol-5-one; 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; 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-sec-butyl-1,2,4-triazol-3-one; CAS-84625-61-6; R-51211; Intraconazole; Sporanox(TM); NCGC00018268-03; 4-(4-{4-[4-({[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}oxy)phenyl]piperazin-1-yl}phenyl)-2-(1-methylpropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; R51211; Itraconazole & Nyotran; Itraconazole (JP17/USP); SCHEMBL23934; 84604-65-9; MLS006011958; AMY922; DTXSID3023180; GTPL11426; Pharmakon1600-01505756; Tox21_110854; 2485AH; AC-542; BDBM50127138; CI0042; MFCD00941396; NSC759239; s2476; AKOS015842738; AKOS015961385; Tox21_110854_1; CCG-270391; DB01167; KS-1268; MCULE-2446846552; NE57775; NSC-759239; NCGC00274068-01; NCGC00274068-02; NCGC00274068-07; 4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-2-(sec-butyl)-2,4-dihydro-3H-1,2,4-triazol-3-one; 873066-43-4; HY-17514; SMR001827898; Itraconazole & Nyotran(Liposomal Nystatin); SBI-0206914.P001; AB0012897; SW219756-1; Itraconazole 2.0 mg/ml in Dimethyl Sulfoxide; D00350; 24236-EP2281816A1; 24236-EP2314590A1; AB01274818-01; AB01274818_02; AB01274818_03; Q411229; BRD-A23067620-001-01-7; 3H-1,2,4-Triazol-3-one, 4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-pipera-zinyl]phenyl]-2,4-dihydro-2-(1-methylpropyl); 4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazole-1-ylmethyl)-1,3-dioxolane-4-yl]methoxy]phenyl]piperazino]phenyl]-2-(1-methylpropyl)-4H-1,2,4-triazole-3(2H)-one
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| Molecular Type |
Small molecule
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| Disease | Fungal infection [ICD-11: 1F29-1F2F] | Approved | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Formula |
C35H38Cl2N8O4
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| PubChem CID | ||||
| Canonical SMILES |
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
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| 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
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| InChIKey |
VHVPQPYKVGDNFY-ZPGVKDDISA-N
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| CAS Number |
CAS 84625-61-6
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| ChEBI ID | ||||
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Arsenic trioxide | Realgar and orpiment | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
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| Molecule(s)
Regulation |
Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CCND1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | Gli1 | Molecule Info |
Pathway MAP
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| In-vitro Model | NCI-H929 | CVCL_1600 | Plasma cell myeloma | Homo sapiens | ||
| Experimental
Result(s) |
ATO combined with ITRA can more strongly suppress the growth of multiple myeloma NCI-H929 cells, as compared with a single administration. The synergistic effect of ATO and ITRA significantly down-regulates expression of Gli1 in HH signaling pathway, moreover the inhibition of target gene overexpression may be one of two drug mechanisms. | |||||
| Menthol | Mentha x piperita | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [3] | |||||
| Detail(s) |
Combination Info
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| In-vitro Model | Candida glabrata ATCC 90030 | Microorganism model | Candida glabrata | |||
| Candida krusei ATCC 6258 | Microorganism model | Candida krusei | ||||
| Experimental
Result(s) |
Synergistic anticandidal activity of menthol in combination with itraconazole and nystatin against clinical Candida glabrata and Candida krusei isolates. | |||||
| Target and Pathway | ||||
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| Target(s) | Candida Cytochrome P450 51 (Candi ERG11) | Molecule Info | [4] | |
