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iGMDRD158

Canonical SMILES: CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O

InChI: InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11?,15-,20?,21+,22-,24?,25?,26+,27?,29?/m0/s1

InChI Key: VJJPUSNTGOMMGY-SEMSPOPGSA-N

Standard Name	CHEMBL	Pubchem CID	Drug Status	Drug Type
NSC141540	CHEMBL16671	439525	Alone	Small Molecule

Drug Targets:

TOP2

Drug Pathways:

DNA replication

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	8
64901	RANBP17	2
27125	AFF4	2
4854	NOTCH3	5
7514	XPO1	1
3725	JUN	1
5027	P2RX7	2
10903	MTMR11	5
79848	CSPP1	2
79054	TRPM8	2
10641	NPRL2	6
7128	TNFAIP3	2
9261	MAPKAPK2	3
132	ADK	5
5933	RBL1	3
8476	CDC42BPA	2
4926	NUMA1	2
11183	MAP4K5	3
9077	DIRAS3	1
2048	EPHB2	3
5546	PRCC	5
10806	SDCCAG8	2
4168	MCF2	3
23513	SCRIB	3
2956	MSH6	4
2200	FBN1	2
51765	STK26	6
150465	TTL	3
3708	ITPR1	5
57554	LRRC7	3
3845	KRAS	7
3757	KCNH2	2
5295	PIK3R1	6
23097	CDK19	2
8289	ARID1A	4
6351	CCL4	3
80070	ADAMTS20	2
3939	LDHA	3
4928	NUP98	3
3431	SP110	6
9475	ROCK2	3
83942	TSSK1B	1
3551	IKBKB	2
3326	HSP90AB1	1
10395	DLC1	7
3069	HDLBP	2
11116	FGFR1OP	2
9530	BAG4	3
6657	SOX2	8
390502	SERPINA2	3
56776	FMN2	2
5079	PAX5	3
10892	MALT1	2
4313	MMP2	3
6598	SMARCB1	5
4170	MCL1	1
22853	LMTK2	1
7253	TSHR	5
7098	TLR3	1
6732	SRPK1	3
10645	CAMKK2	1
5298	PI4KB	3
2241	FER	4
341676	NEK5	4
57172	CAMK1G	3
6887	TAL2	6
114908	TMEM123	3
7048	TGFBR2	4
114783	LMTK3	2
202374	STK32A	5
1813	DRD2	3
1387	CREBBP	6
11329	STK38	3
26039	SS18L1	2
2043	EPHA4	6
1859	DYRK1A	3
10013	HDAC6	6
5579	PRKCB	4
31	ACACA	2
29998	BICRA	2
8295	TRRAP	6
1111	CHEK1	2
26576	SRPK3	3
2977	GUCY1A2	2
10438	C1D	6
23617	TSSK2	4
7158	TP53BP1	2
2033	EP300	3
54567	DLL4	5
4001	LMNB1	2
23522	KAT6B	5
55728	N4BP2	2
25925	ZNF521	3
54477	PLEKHA5	2
57670	KIAA1549	6
284521	OR2L13	3
440279	UNC13C	7
4610	MYCL	5
4301	AFDN	3
342977	NANOS3	3
2051	EPHB6	2
9693	RAPGEF2	5
169436	STKLD1	3
32	ACACB	3
3556	IL1RAP	1
4300	MLLT3	5
64083	GOLPH3	3
22806	IKZF3	2
2242	FES	3
9175	MAP3K13	3
80351	TNKS2	3
1437	CSF2	1
8313	AXIN2	4
116986	AGAP2	1
5330	PLCB2	1
23255	MTCL1	2
730249	ACOD1	3
5984	RFC4	6
10298	PAK4	2
83990	BRIP1	3
51804	SIX4	2
4739	NEDD9	6
9098	USP6	2
1984	EIF5A	2
284217	LAMA1	3
7424	VEGFC	3
1143	CHRNB4	2
2045	EPHA7	2
1992	SERPINB1	5
238	ALK	2
171019	ADAMTS19	3
375449	MAST4	3
983	CDK1	1
65266	WNK4	3
83983	TSSK6	3
65217	PCDH15	7
8395	PIP5K1B	3
54899	PXK	4
23191	CYFIP1	3
440730	TRIM67	3
783	CACNB2	2
5580	PRKCD	3
4140	MARK3	3
9759	HDAC4	3
92	ACVR2A	2
1452	CSNK1A1	5
8714	ABCC3	3
57510	XPO5	2
1973	EIF4A1	3
5591	PRKDC	4
8859	STK19	1
79705	LRRK1	3
4046	LSP1	3
54437	SEMA5B	3
3685	ITGAV	3
6917	TCEA1	6
80243	PREX2	3
472	ATM	5
139285	AMER1	4
83903	HASPIN	2
8148	TAF15	1
28996	HIPK2	3
4087	SMAD2	3
7533	YWHAH	5
5289	PIK3C3	4
898	CCNE1	2
2066	ERBB4	7
839	CASP6	3
2201	FBN2	3
7184	HSP90B1	2
5108	PCM1	3
157753	TMEM74	11
1910	EDNRB	6
2868	GRK4	6
657	BMPR1A	2
5336	PLCG2	6
7157	TP53	6
6714	SRC	1
2322	FLT3	2
25836	NIPBL	5
397	ARHGDIB	3
4292	MLH1	3
2263	FGFR2	1
4086	SMAD1	1
7409	VAV1	3
65243	ZFP69B	2
105	ADARB2	2
863	CBFA2T3	6
1555	CYP2B6	2
23043	TNIK	2
2309	FOXO3	2
369	ARAF	1
4921	DDR2	6
9965	FGF19	2
6197	RPS6KA3	3
55589	BMP2K	2
65125	WNK1	5
57591	MRTFA	2
4436	MSH2	5
50945	TBX22	5
6035	RNASE1	3
984	CDK11B	2
5650	KLK7	3
57578	UNC79	1
4026	LPP	3
8997	KALRN	2
2071	ERCC3	4
23269	MGA	3
3643	INSR	6
5371	PML	3
4089	SMAD4	4
54658	UGT1A1	1
256536	TCERG1L	4
9252	RPS6KA5	2
78989	COLEC11	2
285220	EPHA6	5
51366	UBR5	6
3426	CFI	4
5606	MAP2K3	3
5297	PI4KA	4
2047	EPHB1	5
10926	DBF4	2
5578	PRKCA	6
440275	EIF2AK4	2
1198	CLK3	5
9972	NUP153	2
2187	FANCB	3
3562	IL3	3
6046	BRD2	3
3720	JARID2	7
2931	GSK3A	8
4145	MATK	3
1687	GSDME	4
26524	LATS2	4
90	ACVR1	2
57154	SMURF1	6
5530	PPP3CA	3
7075	TIE1	4
1956	EGFR	5
157680	VPS13B	2
2735	GLI1	2
3065	HDAC1	1
11064	CNTRL	2
2624	GATA2	1
8021	NUP214	1
4684	NCAM1	3
894	CCND2	1
6776	STAT5A	3
5747	PTK2	2
5187	PER1	3
7917	BAG6	3
10000	AKT3	2
91754	NEK9	3
93627	TBCK	2
137872	ADHFE1	3
7189	TRAF6	3
3949	LDLR	4
10186	LHFPL6	2
6872	TAF1	3
1981	EIF4G1	2
1213	CLTC	7
6011	GRK1	2
84879	MFSD2A	2
23532	PRAME	2
8924	HERC2	3
120892	LRRK2	3
89795	NAV3	2
65268	WNK2	3
11126	CD160	6
6095	RORA	2
146057	TTBK2	3
2113	ETS1	1
5205	ATP8B1	4
5128	CDK17	3
460	ASTN1	5
5979	RET	3
9321	TRIP11	1
9451	EIF2AK3	3
654780	LOC654780	4
664	BNIP3	6
8491	MAP4K3	3
3229	HOXC13	3
23598	PATZ1	6
5563	PRKAA2	3
10010	TANK	3
55521	TRIM36	3
10752	CHL1	4
23476	BRD4	3
208	AKT2	3
2316	FLNA	1
80124	VCPIP1	3
667	DST	4
23281	MTUS2	3
3554	IL1R1	2
83666	PARP9	3
5305	PIP4K2A	3
140803	TRPM6	4
4317	MMP8	2
6770	STAR	4
2648	KAT2A	2
890	CCNA2	2
1950	EGF	5
2264	FGFR4	7
658	BMPR1B	1
8301	PICALM	3
6498	SKIL	4
4055	LTBR	3
79834	PEAK1	5
7465	WEE1	6
23332	CLASP1	1
10257	ABCC4	2
85415	RHPN2	4
10562	OLFM4	6
53904	MYO3A	4
79012	CAMKV	4
221895	JAZF1	2
22843	PPM1E	1
23305	ACSL6	1
51151	SLC45A2	4
5291	PIK3CB	4
558	AXL	3
7248	TSC1	1
4619	MYH1	2
2869	GRK5	3
5581	PRKCE	3
317	APAF1	4
2041	EPHA1	3
2317	FLNB	2
9021	SOCS3	3
10111	RAD50	7
171389	NLRP6	3
55289	ACOXL	3
3181	HNRNPA2B1	4
1281	COL3A1	3
9659	PDE4DIP	2
9201	DCLK1	3
3557	IL1RN	6
5335	PLCG1	2
2130	EWSR1	3
3624	INHBA	3
4628	MYH10	1
5927	KDM5A	2
1385	CREB1	4
5587	PRKD1	1
5170	PDPK1	3
1975	EIF4B	3
2131	EXT1	3
57007	ACKR3	3
8317	CDC7	3
23139	MAST2	1
22982	DIP2C	2
5506	PPP1R3A	2
3709	ITPR2	1
6778	STAT6	4
4221	MEN1	3
4067	LYN	6
84254	CAMKK1	2
8428	STK24	3
4772	NFATC1	3
2719	GPC3	2
80216	ALPK1	3
3977	LIFR	4
5915	RARB	2
4261	CIITA	4
3656	IRAK2	5
182	JAG1	6
2122	MECOM	5
1760	DMPK	2
5087	PBX1	2
5925	RB1	5
4217	MAP3K5	5
4893	NRAS	2
5324	PLAG1	3
862	RUNX1T1	4
7403	KDM6A	8
7508	XPC	5
2258	FGF13	2
112268437	LOC112268437	2
51364	ZMYND10	3
197259	MLKL	2
255239	ANKK1	1
55959	SULF2	2
9878	TOX4	6
3488	IGFBP5	2
3480	IGF1R	3
4299	AFF1	3
2261	FGFR3	1
23072	HECW1	3
865	CBFB	3
2073	ERCC5	3
100240709	GAPDHP44	1
79577	CDC73	2
8711	TNK1	3
79966	SCD5	3
55746	NUP133	3
8321	FZD1	3
156	GRK2	2
4763	NF1	2
1612	DAPK1	4
138474	TAF1L	6
1994	ELAVL1	3
1840	DTX1	3
65975	STK33	2
10891	PPARGC1A	7
2044	EPHA5	2
5287	PIK3C2B	3
4593	MUSK	3
2280	FKBP1A	2
30811	HUNK	3
81788	NUAK2	3
7294	TXK	5
6868	ADAM17	3
23112	TNRC6B	6
2178	FANCE	5
1499	CTNNB1	5
64328	XPO4	3
56155	TEX14	1
4916	NTRK3	3
2886	GRB7	3
1795	DOCK3	4
167359	NIM1K	4
5624	PROC	3
5970	RELA	2
5590	PRKCZ	2

Gene in drug-gene network: Network Plot

Models in NSC141540

SITE

DATATYPES

CLASSFICATION

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