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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 Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Itraconazole	CHEMBL22587	55283	D00350	DB01167	Alone	DAP000631	Small Molecule

Drug Class:

14-alpha Demethylase Inhibitors Anti-Infective Agents Antifungal Agents Antiinfectives for Systemic Use Antimycotics for Systemic Use Azole Antifungals Azoles Chemically-Induced Disorders Combined Inhibitors of CYP3A4 and P-glycoprotein Combined Inhibitors of CYP3A4 and P-glycoprotein (Strong)Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Inhibitors (strong)Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strong)Cytochrome P-450 CYP3A5 Inhibitors (strong)Cytochrome P-450 CYP3A7 Inhibitors (strong)Cytochrome P-450 Enzyme Inhibitors Drug-Related Side Effects and Adverse Reactions Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Metabolic Side Effects of Drugs and Substances P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Piperazines Potential QTc-Prolonging Agents QTc Prolonging Agents Steroid Synthesis Inhibitors Triazole Derivatives Triazoles

Drug Targets:

CYP51A1 (Q16850)ERG11 (P50859)

Drug Synonyms:

Itraconazole (JP17/USAN)Itrizole (TN)Sporanox (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
1147	CHUK	3
8019	BRD3	3
7837	PXDN	3
79054	TRPM8	3
1464	CSPG4	2
10641	NPRL2	2
23085	ERC1	2
5261	PHKG2	6
21	ABCA3	3
7750	ZMYM2	1
840	CASP7	3
79947	DHDDS	3
5546	PRCC	1
4168	MCF2	3
2200	FBN1	3
57554	LRRC7	3
5295	PIK3R1	1
23097	CDK19	3
6563	SLC14A1	2
55215	FANCI	3
8289	ARID1A	5
8266	UBL4A	1
701	BUB1B	3
25778	DSTYK	3
6938	TCF12	5
9475	ROCK2	2
7764	ZNF217	2
79820	CATSPERB	3
390502	SERPINA2	2
56776	FMN2	1
10892	MALT1	1
9891	NUAK1	2
1607	DGKB	2
1272	CNTN1	1
22853	LMTK2	3
7253	TSHR	8
10645	CAMKK2	3
8749	ADAM18	6
3841	KPNA5	3
2241	FER	4
8737	RIPK1	3
22821	RASA3	4
140469	MYO3B	3
604	BCL6	2
7048	TGFBR2	2
114783	LMTK3	3
1387	CREBBP	4
1893	ECM1	2
55023	PHIP	3
5579	PRKCB	5
2984	GUCY2C	3
31	ACACA	3
7133	TNFRSF1B	2
9699	RIMS2	4
51755	CDK12	3
5074	PAWR	3
85021	REPS1	3
29998	BICRA	2
10438	C1D	3
9024	BRSK2	2
5159	PDGFRB	3
7173	TPO	3
5314	PKHD1	2
5605	MAP2K2	3
51512	GTSE1	2
139378	ADGRG4	3
89910	UBE3B	2
55294	FBXW7	1
2033	EP300	3
9578	CDC42BPB	2
10746	MAP3K2	1
83439	TCF7L1	2
3227	HOXC11	1
1453	CSNK1D	5
7852	CXCR4	3
284521	OR2L13	4
4301	AFDN	2
5743	PTGS2	3
342667	STAC2	2
152137	CCDC50	3
388228	SBK1	3
122011	CSNK1A1L	2
3621	ING1	2
2051	EPHB6	1
9693	RAPGEF2	5
57787	MARK4	2
6418	SET	3
3714	JAG2	3
26353	HSPB8	3
166614	DCLK2	2
6091	ROBO1	5
1050	CEBPA	1
116986	AGAP2	5
114548	NLRP3	4
80129	CCDC170	5
11169	WDHD1	2
10298	PAK4	2
2736	GLI2	3
6198	RPS6KB1	1
1936	EEF1D	1
4194	MDM4	3
7037	TFRC	3
23405	DICER1	2
238	ALK	3
4752	NEK3	3
2064	ERBB2	1
94103	ORMDL3	5
287015	TRIM42	3
26750	RPS6KC1	1
993	CDC25A	2
7486	WRN	5
23387	SIK3	3
4294	MAP3K10	2
5580	PRKCD	3
4140	MARK3	2
1452	CSNK1A1	1
6709	SPTAN1	3
158056	MAMDC4	2
10087	COL4A3BP	6
50488	MINK1	1
2068	ERCC2	5
8859	STK19	3
9472	AKAP6	5
8515	ITGA10	2
2778	GNAS	3
130497	OSR1	3
9590	AKAP12	2
3685	ITGAV	2
3667	IRS1	4
80243	PREX2	3
83903	HASPIN	2
53942	CNTN5	4
5575	PRKAR1B	3
2734	GLG1	2
9096	TBX18	6
4804	NGFR	3
8038	ADAM12	2
4058	LTK	5
1123	CHN1	2
7010	TEK	6
7533	YWHAH	5
5289	PIK3C3	2
23152	CIC	3
7681	MKRN3	2
904	CCNT1	2
28951	TRIB2	2
7184	HSP90B1	2
139728	PNCK	2
27436	EML4	3
83694	RPS6KL1	6
5336	PLCG2	3
27347	STK39	6
55190	NUDT11	2
7157	TP53	1
4173	MCM4	9
2322	FLT3	2
114788	CSMD3	3
54498	SMOX	1
2133	EXT3	3
8408	ULK1	3
5585	PKN1	2
1649	DDIT3	1
11213	IRAK3	2
9967	THRAP3	6
8874	ARHGEF7	3
1555	CYP2B6	3
9088	PKMYT1	3
7038	TG	3
8660	IRS2	3
3572	IL6ST	3
6197	RPS6KA3	1
57188	ADAMTSL3	2
65125	WNK1	3
4436	MSH2	2
9401	RECQL4	3
4026	LPP	2
10499	NCOA2	3
8997	KALRN	3
7994	KAT6A	3
57551	TAOK1	2
6280	S100A9	2
2175	FANCA	3
23469	PHF3	2
3559	IL2RA	3
672	BRCA1	2
4139	MARK1	6
9448	MAP4K4	6
285220	EPHA6	3
546	ATRX	2
5069	PAPPA	3
5578	PRKCA	2
4214	MAP3K1	6
8731	RNMT	1
84823	LMNB2	3
8202	NCOA3	6
4293	MAP3K9	3
26524	LATS2	3
6391	SDHC	3
5045	FURIN	1
7043	TGFB3	3
10565	ARFGEF1	3
26166	RGS22	1
607	BCL9	2
1956	EGFR	1
841	CASP8	2
4609	MYC	8
64333	ARHGAP9	2
11064	CNTRL	1
8021	NUP214	5
51321	AMZ2	2
1326	MAP3K8	3
7297	TYK2	3
896	CCND3	2
1440	CSF3	5
29951	PDZRN4	2
5592	PRKG1	4
5156	PDGFRA	2
8900	CCNA1	2
5187	PER1	2
10000	AKT3	2
91754	NEK9	3
6872	TAF1	3
57082	KNL1	2
988	CDC5L	2
3315	HSPB1	3
23532	PRAME	1
339345	NANOS2	1
6095	RORA	2
57507	ZNF608	3
8029	CUBN	1
460	ASTN1	2
4298	MLLT1	5
9321	TRIP11	4
5378	PMS1	3
157	GRK3	1
10752	CHL1	3
51592	TRIM33	3
7155	TOP2B	2
100187828	HBD	3
667	DST	2
115701	ALPK2	3
140803	TRPM6	3
2188	FANCF	3
6146	RPL22	3
1950	EGF	2
23090	ZNF423	3
3899	AFF3	4
8522	GAS7	2
79834	PEAK1	2
5582	PRKCG	3
7465	WEE1	3
7059	THBS3	2
85415	RHPN2	2
54904	NSD3	3
53904	MYO3A	6
29941	PKN3	1
26686	OR4E2	3
51151	SLC45A2	1
5291	PIK3CB	1
7248	TSC1	1
9748	SLK	4
57680	CHD8	2
100124696	TEC	3
860	RUNX2	2
171389	NLRP6	2
1789	DNMT3B	3
53353	LRP1B	6
1281	COL3A1	2
63976	PRDM16	6
54101	RIPK4	2
6093	ROCK1	2
131890	GRK7	2
598	BCL2L1	3
5587	PRKD1	6
4215	MAP3K3	2
5170	PDPK1	1
6196	RPS6KA2	2
57448	BIRC6	3
2131	EXT1	3
57007	ACKR3	3
2304	FOXE1	5
23139	MAST2	2
3709	ITPR2	1
8899	PRPF4B	2
23301	EHBP1	6
84254	CAMKK1	3
8428	STK24	2
3516	RBPJ	4
6777	STAT5B	3
80216	ALPK1	2
3977	LIFR	3
5915	RARB	2
4330	MN1	1
23250	ATP11A	3
182	JAG1	3
7046	TGFBR1	2
7913	DEK	2
3662	IRF4	2
5087	PBX1	3
5324	PLAG1	3
862	RUNX1T1	2
3691	ITGB4	5
81629	TSSK3	6
5586	PKN2	3
30849	PIK3R4	2
3480	IGF1R	2
4915	NTRK2	3
4299	AFF1	2
11086	ADAM29	2
9262	STK17B	3
3237	HOXD11	3
5567	PRKACB	3
4040	LRP6	1
55746	NUP133	3
156	GRK2	3
4763	NF1	5
1840	DTX1	2
65975	STK33	3
94	ACVRL1	1
5287	PIK3C2B	3
4629	MYH11	3
23112	TNRC6B	1
27255	CNTN6	5
27151	CPAMD8	2
64328	XPO4	3
56155	TEX14	2
2892	GRIA3	5
4916	NTRK3	5
1795	DOCK3	3
11035	RIPK3	3
5624	PROC	4
5590	PRKCZ	1

Gene in drug-gene network: Network Plot

Models in Itraconazole

SITE

DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.