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iGMDRD251

Canonical SMILES: COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl

InChI: InChI=1S/C23H22Cl2N2O3S/c1-30-19-10-9-17(14-18(19)25)27(21(28)15-24)22(20-8-5-13-31-20)23(29)26-12-11-16-6-3-2-4-7-16/h2-10,13-14,22H,11-12,15H2,1H3,(H,26,29)

InChI Key: UNVKYJSNMVDZJE-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	Drug Status	Drug Type
ML162	CHEMBL1499544	3689410	Alone	Small Molecule

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.
7074	TIAM1	2
7128	TNFAIP3	1
10987	COPS5	3
8266	UBL4A	2
3939	LDHA	3
7764	ZNF217	2
11160	ERLIN2	3
11116	FGFR1OP	5
79820	CATSPERB	2
1607	DGKB	3
23213	SULF1	3
3066	HDAC2	3
5298	PI4KB	1
8749	ADAM18	3
2241	FER	3
22821	RASA3	3
79934	COQ8B	2
54822	TRPM7	3
1387	CREBBP	5
9048	ARTN	2
9411	ARHGAP29	2
2977	GUCY1A2	3
5159	PDGFRB	1
10215	OLIG2	3
139378	ADGRG4	3
145264	SERPINA12	6
641	BLM	3
5743	PTGS2	3
25937	WWTR1	1
256646	NUTM1	3
57787	MARK4	3
1586	CYP17A1	3
5613	PRKX	4
2210	FCGR1B	1
2045	EPHA7	4
6850	SYK	1
286826	LIN9	3
5580	PRKCD	3
2068	ERCC2	2
1009	CDH11	2
53942	CNTN5	2
5327	PLAT	6
10413	YAP1	6
1029	CDKN2A	2
3932	LCK	2
6794	STK11	9
57194	ATP10A	3
3791	KDR	6
93210	PGAP3	3
2263	FGFR2	4
2133	EXT3	3
1019	CDK4	1
85481	PSKH2	6
8833	GMPS	6
55034	MOCOS	3
1656	DDX6	3
5871	MAP4K2	6
84181	CHD6	2
57111	RAB25	1
54658	UGT1A1	1
6654	SOS1	2
672	BRCA1	2
9448	MAP4K4	3
7786	MAP3K12	3
56997	COQ8A	3
8216	LZTR1	1
3702	ITK	7
3239	HOXD13	6
5034	P4HB	3
8202	NCOA3	3
4293	MAP3K9	2
10565	ARFGEF1	3
4803	NGF	4
1956	EGFR	4
8445	DYRK2	1
841	CASP8	2
3065	HDAC1	3
11064	CNTRL	3
64750	SMURF2	3
1459	CSNK2A2	3
10461	MERTK	3
26278	SACS	1
5592	PRKG1	3
93627	TBCK	4
84630	TTBK1	3
89795	NAV3	4
6095	RORA	3
7301	TYRO3	1
7468	NSD2	4
11184	MAP4K1	3
5128	CDK17	6
9451	EIF2AK3	4
9509	ADAMTS2	2
23742	NPAP1	3
51330	TNFRSF12A	3
8888	MCM3AP	2
667	DST	2
115701	ALPK2	1
2897	GRIK1	6
4317	MMP8	2
8301	PICALM	3
5582	PRKCG	2
8667	EIF3H	3
53904	MYO3A	2
7248	TSC1	2
2317	FLNB	1
53353	LRP1B	4
3579	CXCR2	3
10734	STAG3	3
1975	EIF4B	3
57448	BIRC6	2
3717	JAK2	3
53335	BCL11A	1
3815	KIT	2
2903	GRIN2A	3
4974	OMG	2
5925	RB1	5
2065	ERBB3	1
7040	TGFB1	6
142	PARP1	2
23072	HECW1	3
8711	TNK1	3
55422	ZNF331	5
63893	UBE2O	2
4629	MYH11	6
23112	TNRC6B	1
3440	IFNA2	2
2892	GRIA3	2
4916	NTRK3	3
4486	MST1R	3
5624	PROC	2

Gene in drug-gene network: Network Plot

Models in ML162

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DATATYPES

CLASSFICATION

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