iGMDRD77


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

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

InChI Key: VHVPQPYKVGDNFY-ZPGVKDDISA-N

Standard NameCHEMBLPubchem CIDKEGG Drug IDDRUGBANK IDDrug StatusDrug targets (TTD)Drug Type
ItraconazoleCHEMBL22587 55283D00350DB01167AloneDAP000631Small Molecule

Drug Class:

14-alpha Demethylase InhibitorsAnti-Infective AgentsAntifungal AgentsAntiinfectives for Systemic UseAntimycotics for Systemic UseAzole AntifungalsAzolesChemically-Induced DisordersCombined Inhibitors of CYP3A4 and P-glycoproteinCombined Inhibitors of CYP3A4 and P-glycoprotein (Strong)Cytochrome P-450 CYP3A InhibitorsCytochrome P-450 CYP3A Inhibitors (strong)Cytochrome P-450 CYP3A4 InhibitorsCytochrome P-450 CYP3A4 Inhibitors (strong)Cytochrome P-450 CYP3A5 Inhibitors (strong)Cytochrome P-450 CYP3A7 Inhibitors (strong)Cytochrome P-450 Enzyme InhibitorsDrug-Related Side Effects and Adverse ReactionsEnzyme InhibitorsHeterocyclic CompoundsHeterocyclic Compounds, 1-RingHormone AntagonistsHormones, Hormone Substitutes, and Hormone AntagonistsMetabolic Side Effects of Drugs and SubstancesP-glycoprotein/ABCB1 InhibitorsP-glycoprotein/ABCB1 SubstratesPiperazinesPotential QTc-Prolonging AgentsQTc Prolonging AgentsSteroid Synthesis InhibitorsTriazole DerivativesTriazoles


Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot


Gene IDGene NameModel Num.
1147CHUK3
8019BRD33
7837PXDN3
79054TRPM83
1464CSPG42
10641NPRL22
23085ERC12
5261PHKG26
21ABCA33
7750ZMYM21
840CASP73
79947DHDDS3
5546PRCC1
4168MCF23
2200FBN13
57554LRRC73
5295PIK3R11
23097CDK193
6563SLC14A12
55215FANCI3
8289ARID1A5
8266UBL4A1
701BUB1B3
25778DSTYK3
6938TCF125
9475ROCK22
7764ZNF2172
79820CATSPERB3
390502SERPINA22
56776FMN21
10892MALT11
9891NUAK12
1607DGKB2
1272CNTN11
22853LMTK23
7253TSHR8
10645CAMKK23
8749ADAM186
3841KPNA53
2241FER4
8737RIPK13
22821RASA34
140469MYO3B3
604BCL62
7048TGFBR22
114783LMTK33
1387CREBBP4
1893ECM12
55023PHIP3
5579PRKCB5
2984GUCY2C3
31ACACA3
7133TNFRSF1B2
9699RIMS24
51755CDK123
5074PAWR3
85021REPS13
29998BICRA2
10438C1D3
9024BRSK22
5159PDGFRB3
7173TPO3
5314PKHD12
5605MAP2K23
51512GTSE12
139378ADGRG43
89910UBE3B2
55294FBXW71
2033EP3003
9578CDC42BPB2
10746MAP3K21
83439TCF7L12
3227HOXC111
1453CSNK1D5
7852CXCR43
284521OR2L134
4301AFDN2
5743PTGS23
342667STAC22
152137CCDC503
388228SBK13
122011CSNK1A1L2
3621ING12
2051EPHB61
9693RAPGEF25
57787MARK42
6418SET3
3714JAG23
26353HSPB83
166614DCLK22
6091ROBO15
1050CEBPA1
116986AGAP25
114548NLRP34
80129CCDC1705
11169WDHD12
10298PAK42
2736GLI23
6198RPS6KB11
1936EEF1D1
4194MDM43
7037TFRC3
23405DICER12
238ALK3
4752NEK33
2064ERBB21
94103ORMDL35
287015TRIM423
26750RPS6KC11
993CDC25A2
7486WRN5
23387SIK33
4294MAP3K102
5580PRKCD3
4140MARK32
1452CSNK1A11
6709SPTAN13
158056MAMDC42
10087COL4A3BP6
50488MINK11
2068ERCC25
8859STK193
9472AKAP65
8515ITGA102
2778GNAS3
130497OSR13
9590AKAP122
3685ITGAV2
3667IRS14
80243PREX23
83903HASPIN2
53942CNTN54
5575PRKAR1B3
2734GLG12
9096TBX186
4804NGFR3
8038ADAM122
4058LTK5
1123CHN12
7010TEK6
7533YWHAH5
5289PIK3C32
23152CIC3
7681MKRN32
904CCNT12
28951TRIB22
7184HSP90B12
139728PNCK2
27436EML43
83694RPS6KL16
5336PLCG23
27347STK396
55190NUDT112
7157TP531
4173MCM49
2322FLT32
114788CSMD33
54498SMOX1
2133EXT33
8408ULK13
5585PKN12
1649DDIT31
11213IRAK32
9967THRAP36
8874ARHGEF73
1555CYP2B63
9088PKMYT13
7038TG3
8660IRS23
3572IL6ST3
6197RPS6KA31
57188ADAMTSL32
65125WNK13
4436MSH22
9401RECQL43
4026LPP2
10499NCOA23
8997KALRN3
7994KAT6A3
57551TAOK12
6280S100A92
2175FANCA3
23469PHF32
3559IL2RA3
672BRCA12
4139MARK16
9448MAP4K46
285220EPHA63
546ATRX2
5069PAPPA3
5578PRKCA2
4214MAP3K16
8731RNMT1
84823LMNB23
8202NCOA36
4293MAP3K93
26524LATS23
6391SDHC3
5045FURIN1
7043TGFB33
10565ARFGEF13
26166RGS221
607BCL92
1956EGFR1
841CASP82
4609MYC8
64333ARHGAP92
11064CNTRL1
8021NUP2145
51321AMZ22
1326MAP3K83
7297TYK23
896CCND32
1440CSF35
29951PDZRN42
5592PRKG14
5156PDGFRA2
8900CCNA12
5187PER12
10000AKT32
91754NEK93
6872TAF13
57082KNL12
988CDC5L2
3315HSPB13
23532PRAME1
339345NANOS21
6095RORA2
57507ZNF6083
8029CUBN1
460ASTN12
4298MLLT15
9321TRIP114
5378PMS13
157GRK31
10752CHL13
51592TRIM333
7155TOP2B2
100187828HBD3
667DST2
115701ALPK23
140803TRPM63
2188FANCF3
6146RPL223
1950EGF2
23090ZNF4233
3899AFF34
8522GAS72
79834PEAK12
5582PRKCG3
7465WEE13
7059THBS32
85415RHPN22
54904NSD33
53904MYO3A6
29941PKN31
26686OR4E23
51151SLC45A21
5291PIK3CB1
7248TSC11
9748SLK4
57680CHD82
100124696TEC3
860RUNX22
171389NLRP62
1789DNMT3B3
53353LRP1B6
1281COL3A12
63976PRDM166
54101RIPK42
6093ROCK12
131890GRK72
598BCL2L13
5587PRKD16
4215MAP3K32
5170PDPK11
6196RPS6KA22
57448BIRC63
2131EXT13
57007ACKR33
2304FOXE15
23139MAST22
3709ITPR21
8899PRPF4B2
23301EHBP16
84254CAMKK13
8428STK242
3516RBPJ4
6777STAT5B3
80216ALPK12
3977LIFR3
5915RARB2
4330MN11
23250ATP11A3
182JAG13
7046TGFBR12
7913DEK2
3662IRF42
5087PBX13
5324PLAG13
862RUNX1T12
3691ITGB45
81629TSSK36
5586PKN23
30849PIK3R42
3480IGF1R2
4915NTRK23
4299AFF12
11086ADAM292
9262STK17B3
3237HOXD113
5567PRKACB3
4040LRP61
55746NUP1333
156GRK23
4763NF15
1840DTX12
65975STK333
94ACVRL11
5287PIK3C2B3
4629MYH113
23112TNRC6B1
27255CNTN65
27151CPAMD82
64328XPO43
56155TEX142
2892GRIA35
4916NTRK35
1795DOCK33
11035RIPK33
5624PROC4
5590PRKCZ1

Gene in drug-gene network: Network Plot

Models in Itraconazole

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