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iGMDRD237

Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O

InChI: InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)

InChI Key: URCVCIZFVQDVPM-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
ABT-751	CHEMBL1830238 CHEMBL20684	3035710	DB12254	Alone	Small Molecule

Drug Class:

Amides Amines Aniline Compounds Benzene Derivatives Hydrocarbons Hydrocarbons, Aromatic Hydrocarbons, Cyclic Phenols Sulfones Sulfur Compounds

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.
3696	ITGB8	4
1147	CHUK	3
27125	AFF4	2
8999	CDKL2	4
5296	PIK3R2	3
5027	P2RX7	1
79848	CSPP1	2
7535	ZAP70	2
79054	TRPM8	3
23085	ERC1	1
21	ABCA3	3
6581	SLC22A3	3
132	ADK	3
7750	ZMYM2	7
4926	NUMA1	2
79947	DHDDS	2
4627	MYH9	3
4168	MCF2	2
2200	FBN1	1
2339	FNTA	3
3845	KRAS	1
4750	NEK1	3
23552	CDK20	3
6563	SLC14A1	4
8289	ARID1A	2
701	BUB1B	2
5934	RBL2	3
3431	SP110	3
2475	MTOR	2
7850	IL1R2	3
9869	SETDB1	1
7764	ZNF217	1
10395	DLC1	1
5241	PGR	2
5754	PTK7	2
56776	FMN2	2
5079	PAX5	3
4771	NF2	1
3066	HDAC2	2
3841	KPNA5	1
57172	CAMK1G	3
943	TNFRSF8	3
51199	NIN	2
5756	TWF1	1
10454	TAB1	3
55023	PHIP	2
23225	NUP210	1
56164	STK31	2
85021	REPS1	4
3604	TNFRSF9	4
29998	BICRA	1
8295	TRRAP	2
10438	C1D	2
7173	TPO	3
4851	NOTCH1	3
5314	PKHD1	3
139378	ADGRG4	3
10295	BCKDK	2
83439	TCF7L1	1
55728	N4BP2	3
6390	SDHB	3
54477	PLEKHA5	5
57670	KIAA1549	1
22861	NLRP1	2
440279	UNC13C	1
4301	AFDN	1
816	CAMK2B	3
342667	STAC2	3
5607	MAP2K5	2
342977	NANOS3	1
8600	TNFSF11	3
9693	RAPGEF2	2
329	BIRC2	2
3091	HIF1A	2
9175	MAP3K13	3
6733	SRPK2	2
6091	ROBO1	1
2260	FGFR1	6
5330	PLCB2	1
23255	MTCL1	2
730249	ACOD1	3
10188	TNK2	5
4216	MAP3K4	3
83990	BRIP1	5
9098	USP6	2
4194	MDM4	5
284217	LAMA1	3
83931	STK40	3
399979	SNX19	1
287015	TRIM42	3
65217	PCDH15	3
834	CASP1	3
79971	WLS	1
9020	MAP3K14	1
54899	PXK	2
7486	WRN	1
23191	CYFIP1	5
1973	EIF4A1	3
5591	PRKDC	2
8091	HMGA2	6
6464	SHC1	2
7166	TPH1	2
6098	ROS1	5
157285	PRAG1	1
638	BIK	3
80243	PREX2	2
139285	AMER1	2
28996	HIPK2	5
3397	ID1	2
54986	ULK4	3
1123	CHN1	6
1496	CTNNA2	2
7010	TEK	5
898	CCNE1	2
2050	EPHB4	1
7867	MAPKAPK3	1
2066	ERBB4	2
10290	SPEG	2
1029	CDKN2A	1
57523	NYNRIN	5
58508	KMT2C	1
648	BMI1	1
7157	TP53	2
27086	FOXP1	7
4173	MCM4	4
4296	MAP3K11	3
4857	NOVA1	3
25836	NIPBL	2
8218	CLTCL1	3
114788	CSMD3	4
3000	GUCY2D	3
9639	ARHGEF10	2
1019	CDK4	1
8874	ARHGEF7	4
55034	MOCOS	3
4921	DDR2	3
5077	PAX3	2
9965	FGF19	3
6197	RPS6KA3	2
65125	WNK1	1
136332	LRGUK	4
4436	MSH2	4
652	BMP4	3
6035	RNASE1	3
1441	CSF3R	3
7175	TPR	3
5871	MAP4K2	1
80205	CHD9	1
8997	KALRN	7
4437	MSH3	5
2071	ERCC3	3
23469	PHF3	1
4089	SMAD4	3
51284	TLR7	1
2668	GDNF	1
11168	PSIP1	1
51366	UBR5	3
3417	IDH1	6
3239	HOXD13	3
92335	STRADA	5
1000	CDH2	12
90	ACVR1	2
6391	SDHC	3
2318	FLNC	6
675	BRCA2	6
3458	IFNG	3
607	BCL9	4
7075	TIE1	5
1956	EGFR	1
640	BLK	6
841	CASP8	2
2735	GLI1	2
4609	MYC	3
11064	CNTRL	3
51321	AMZ2	3
8795	TNFRSF10B	1
7297	TYK2	1
894	CCND2	1
1440	CSF3	1
6446	SGK1	3
5663	PSEN1	2
3553	IL1B	1
1594	CYP27B1	1
3635	INPP5D	3
375056	MIA3	3
91754	NEK9	3
137872	ADHFE1	4
673	BRAF	3
7153	TOP2A	4
84630	TTBK1	1
1981	EIF4G1	1
1213	CLTC	3
1769	DNAH8	2
22976	PAXIP1	2
23532	PRAME	3
5598	MAPK7	3
8924	HERC2	5
339345	NANOS2	2
120892	LRRK2	6
89795	NAV3	2
11126	CD160	1
6095	RORA	3
84441	MAML2	1
9113	LATS1	3
460	ASTN1	2
9321	TRIP11	3
10752	CHL1	3
5728	PTEN	3
51592	TRIM33	3
22883	CLSTN1	2
667	DST	2
1974	EIF4A2	3
115701	ALPK2	4
284086	NEK8	3
2188	FANCF	3
2324	FLT4	4
1676	DFFA	3
2870	GRK6	2
7273	TTN	3
79834	PEAK1	5
7059	THBS3	1
85415	RHPN2	2
23389	MED13L	2
79012	CAMKV	3
55561	CDC42BPG	3
8805	TRIM24	3
2353	FOS	1
286151	FBXO43	2
23305	ACSL6	2
344905	ATP13A5	3
4619	MYH1	2
2932	GSK3B	1
3297	HSF1	3
100124696	TEC	3
171389	NLRP6	1
1789	DNMT3B	3
55289	ACOXL	2
7094	TLN1	3
5609	MAP2K7	3
9659	PDE4DIP	2
54101	RIPK4	3
5927	KDM5A	4
5587	PRKD1	2
55007	FAM118A	3
5589	PRKCSH	2
57448	BIRC6	3
53335	BCL11A	1
79837	PIP4K2C	1
57118	CAMK1D	3
4221	MEN1	3
8550	MAPKAPK5	1
23301	EHBP1	2
4772	NFATC1	2
5915	RARB	3
3656	IRAK2	2
4330	MN1	4
7913	DEK	1
5925	RB1	2
4217	MAP3K5	2
1234	CCR5	2
4638	MYLK	3
4205	MEF2A	3
30849	PIK3R4	7
3488	IGFBP5	4
2011	MARK2	1
51135	IRAK4	1
4915	NTRK2	2
11086	ADAM29	1
2261	FGFR3	4
2073	ERCC5	3
55422	ZNF331	5
3092	HIP1	1
595	CCND1	3
156	GRK2	3
4763	NF1	1
5260	PHKG1	5
63893	UBE2O	2
4591	TRIM37	2
2044	EPHA5	2
81788	NUAK2	3
6868	ADAM17	3
1499	CTNNB1	1
2892	GRIA3	2
2904	GRIN2B	2
5624	PROC	3
1488	CTBP2	2
5590	PRKCZ	4

Gene in drug-gene network: Network Plot

Models in ABT-751

SITE

DATATYPES

CLASSFICATION

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