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iGMDRD121

Canonical SMILES: C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=NC=C2)Cl

InChI: InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)

InChI Key: BOIPLTNGIAPDBY-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
GMX1778	CHEMBL17289	148198	DB12980	Alone	Small Molecule

Drug Class:

Acids Acids, Noncarboxylic Amidines Anions Electrolytes Hydrogen Cyanide Ions Nitrogen Compounds

Drug Targets:

NAMPT

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.
331	XIAP	2
3696	ITGB8	6
64901	RANBP17	3
8999	CDKL2	2
7074	TIAM1	2
10903	MTMR11	2
471	ATIC	2
7535	ZAP70	2
1464	CSPG4	2
8444	DYRK3	4
10987	COPS5	1
132	ADK	5
7750	ZMYM2	2
2986	GUCY2F	3
23513	SCRIB	3
2956	MSH6	3
4303	FOXO4	2
57679	ALS2	3
3708	ITPR1	2
1588	CYP19A1	2
57554	LRRC7	4
9706	ULK2	2
817	CAMK2D	3
7272	TTK	7
3845	KRAS	1
3757	KCNH2	2
4750	NEK1	2
55215	FANCI	3
8289	ARID1A	6
80070	ADAMTS20	2
8266	UBL4A	1
701	BUB1B	2
9760	TOX	2
3431	SP110	3
6938	TCF12	2
9475	ROCK2	3
83942	TSSK1B	2
6597	SMARCA4	3
3326	HSP90AB1	3
4036	LRP2	2
11160	ERLIN2	2
5241	PGR	6
5133	PDCD1	4
843	CASP10	3
3069	HDLBP	2
11116	FGFR1OP	2
7444	VRK2	5
7942	TFEB	3
6657	SOX2	2
390502	SERPINA2	4
56776	FMN2	2
64783	RBM15	3
10892	MALT1	2
23235	SIK2	2
6598	SMARCB1	4
23213	SULF1	2
3320	HSP90AA1	3
9641	IKBKE	1
3066	HDAC2	6
2241	FER	2
22821	RASA3	2
6318	SERPINB4	3
5154	PDGFA	3
79934	COQ8B	2
54822	TRPM7	3
7080	NKX2-1	5
943	TNFRSF8	3
51199	NIN	2
28231	SLCO4A1	3
112858	TP53RK	2
5756	TWF1	3
5788	PTPRC	5
23225	NUP210	7
2313	FLI1	3
5579	PRKCB	2
11200	CHEK2	4
31	ACACA	2
1602	DACH1	3
10178	TENM1	1
51755	CDK12	3
5966	REL	2
85021	REPS1	2
3604	TNFRSF9	3
8295	TRRAP	1
10438	C1D	2
11122	PTPRT	2
5159	PDGFRB	3
7373	COL14A1	3
55300	PI4K2B	3
5314	PKHD1	2
7158	TP53BP1	1
145264	SERPINA12	3
89910	UBE3B	1
10295	BCKDK	2
9578	CDC42BPB	3
641	BLM	5
4595	MUTYH	3
55728	N4BP2	3
25925	ZNF521	3
7852	CXCR4	3
54477	PLEKHA5	2
57670	KIAA1549	2
284521	OR2L13	3
5607	MAP2K5	2
57396	CLK4	3
51776	MAP3K20	2
256646	NUTM1	7
1540	CYLD	1
8600	TNFSF11	3
9693	RAPGEF2	5
57787	MARK4	2
1586	CYP17A1	2
6256	RXRA	1
32	ACACB	6
3556	IL1RAP	2
2688	GH1	3
166614	DCLK2	2
7416	VDAC1	3
22984	PDCD11	6
80351	TNKS2	1
6733	SRPK2	3
6091	ROBO1	2
4792	NFKBIA	5
51343	FZR1	3
29904	EEF2K	3
2908	NR3C1	2
3688	ITGB1	3
6928	HNF1B	3
284217	LAMA1	8
269	AMHR2	3
207	AKT1	3
1143	CHRNB4	2
55681	SCYL2	5
2045	EPHA7	7
23405	DICER1	1
238	ALK	2
399979	SNX19	3
171019	ADAMTS19	3
375449	MAST4	7
85443	DCLK3	3
65266	WNK4	2
6850	SYK	4
287015	TRIM42	5
79971	WLS	2
55361	PI4K2A	3
7486	WRN	3
440730	TRIM67	3
4140	MARK3	2
92	ACVR2A	2
8714	ABCC3	3
57510	XPO5	3
5286	PIK3C2A	2
10087	COL4A3BP	6
659	BMPR2	4
9472	AKAP6	4
2778	GNAS	4
3667	IRS1	2
8945	BTRC	2
2580	GAK	6
1009	CDH11	2
139285	AMER1	3
83903	HASPIN	5
575	ADGRB1	3
3397	ID1	1
5924	RASGRF2	1
2734	GLG1	3
1496	CTNNA2	3
7010	TEK	7
7533	YWHAH	2
898	CCNE1	1
2066	ERBB4	3
5863	RGL2	4
10290	SPEG	4
1029	CDKN2A	5
7184	HSP90B1	2
10062	NR1H3	5
9794	MAML1	1
57523	NYNRIN	4
1910	EDNRB	3
9874	TLK1	3
5834	PYGB	1
58508	KMT2C	3
7157	TP53	2
6092	ROBO2	9
6794	STK11	5
25836	NIPBL	2
7869	SEMA3B	4
8218	CLTCL1	2
4292	MLH1	3
114788	CSMD3	4
2263	FGFR2	2
572	BAD	3
1019	CDK4	3
7409	VAV1	3
8874	ARHGEF7	3
51086	TNNI3K	3
55034	MOCOS	3
1102	RCBTB2	1
5600	MAPK11	2
369	ARAF	2
5077	PAX3	2
3187	HNRNPH1	3
65125	WNK1	1
652	BMP4	2
9401	RECQL4	3
54106	TLR9	3
80205	CHD9	2
57578	UNC79	5
10499	NCOA2	4
23269	MGA	1
2175	FANCA	2
23469	PHF3	3
51284	TLR7	3
3559	IL2RA	3
6654	SOS1	7
2668	GDNF	6
9252	RPS6KA5	2
78989	COLEC11	3
5727	PTCH1	7
546	ATRX	2
51366	UBR5	4
3426	CFI	2
3417	IDH1	5
57144	PAK5	3
3702	ITK	4
9972	NUP153	1
3239	HOXD13	3
50615	IL21R	2
5290	PIK3CA	4
1514	CTSL	3
5034	P4HB	3
1000	CDH2	4
26524	LATS2	2
7043	TGFB3	3
64919	BCL11B	1
57154	SMURF1	1
675	BRCA2	2
7075	TIE1	2
1956	EGFR	8
8445	DYRK2	1
157680	VPS13B	2
841	CASP8	2
3065	HDAC1	3
4609	MYC	1
64333	ARHGAP9	3
11064	CNTRL	3
5789	PTPRD	3
10461	MERTK	4
29951	PDZRN4	4
6776	STAT5A	2
51265	CDKL3	3
6446	SGK1	1
5592	PRKG1	2
5156	PDGFRA	3
3635	INPP5D	3
5187	PER1	5
7917	BAG6	3
375056	MIA3	3
7015	TERT	4
23005	MAPKBP1	3
57082	KNL1	2
84630	TTBK1	3
1981	EIF4G1	5
1769	DNAH8	3
988	CDC5L	3
22976	PAXIP1	2
4863	NPAT	4
780	DDR1	2
83452	RAB33B	4
5598	MAPK7	1
8924	HERC2	7
339345	NANOS2	3
120892	LRRK2	1
89795	NAV3	3
65268	WNK2	2
11126	CD160	3
2867	FFAR2	3
6095	RORA	2
29844	TFPT	3
7301	TYRO3	3
7468	NSD2	1
5128	CDK17	3
8626	TP63	4
9113	LATS1	3
8178	ELL	3
9321	TRIP11	2
4791	NFKB2	3
5563	PRKAA2	2
23396	PIP5K1C	2
23742	NPAP1	2
10010	TANK	2
8312	AXIN1	6
5728	PTEN	3
8888	MCM3AP	2
55120	FANCL	3
4004	LMO1	3
23542	MAPK8IP2	2
5347	PLK1	3
352909	DNAAF3	5
2324	FLT4	3
2648	KAT2A	1
1950	EGF	1
177	AGER	3
8301	PICALM	6
28954	REM1	1
7273	TTN	1
1018	CDK3	3
8522	GAS7	2
5582	PRKCG	6
995	CDC25C	3
7465	WEE1	3
6789	STK4	3
203447	NRK	3
29959	NRBP1	2
8648	NCOA1	6
387	RHOA	5
79012	CAMKV	3
3161	HMMR	2
9372	ZFYVE9	3
54861	SNRK	2
84930	MASTL	2
8805	TRIM24	6
65018	PINK1	4
1662	DDX10	1
10076	PTPRU	2
558	AXL	6
7248	TSC1	3
332	BIRC5	2
83417	FCRL4	3
57680	CHD8	5
8031	NCOA4	3
10111	RAD50	1
100124696	TEC	3
1789	DNMT3B	2
53353	LRP1B	3
5609	MAP2K7	3
5927	KDM5A	2
5587	PRKD1	4
5583	PRKCH	3
10734	STAG3	7
2157	F8	2
7227	TRPS1	2
6778	STAT6	5
11040	PIM2	3
1030	CDKN2B	3
65267	WNK3	3
5603	MAPK13	3
51562	MBIP	5
6777	STAT5B	2
3552	IL1A	2
330	BIRC3	6
7112	TMPO	3
3656	IRAK2	3
84072	HORMAD1	5
170685	NUDT10	3
11076	TPPP	2
23250	ATP11A	2
7046	TGFBR1	2
80781	COL18A1	3
2122	MECOM	4
1760	DMPK	2
3815	KIT	4
4974	OMG	2
5925	RB1	5
1209	CLPTM1	3
63923	TNN	3
2065	ERBB3	3
862	RUNX1T1	4
7508	XPC	2
112268437	LOC112268437	2
5586	PKN2	3
4205	MEF2A	3
55959	SULF2	2
9878	TOX4	7
57120	GOPC	3
10494	STK25	5
11086	ADAM29	5
142	PARP1	6
2261	FGFR3	2
2073	ERCC5	2
5567	PRKACB	2
54518	APBB1IP	3
595	CCND1	3
4763	NF1	2
8814	CDKL1	6
55791	LRIF1	2
4286	MITF	3
94	ACVRL1	6
2044	EPHA5	6
4629	MYH11	6
30811	HUNK	2
10048	RANBP9	3
4193	MDM2	3
23112	TNRC6B	1
27255	CNTN6	4
1803	DPP4	1
57699	CPNE5	1
29110	TBK1	2
2444	FRK	1
3440	IFNA2	2
1795	DOCK3	3
167359	NIM1K	2
5624	PROC	1
5590	PRKCZ	2

Gene in drug-gene network: Network Plot

Models in GMX1778

SITE

DATATYPES

CLASSFICATION

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