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iGMDRD584

Canonical SMILES: C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N

InChI: InChI=1S/C25H23Cl2N7O4/c26-16-6-5-15(7-17(16)27)9-30-25-33-19-22(29)31-12-32-23(19)34(25)24-21(36)20(35)18(38-24)11-37-10-14-3-1-13(8-28)2-4-14/h1-7,12,18,20-21,24,35-36H,9-11H2,(H,30,33)(H2,29,31,32)/t18-,20-,21-,24-/m1/s1

InChI Key: ZXGGCBQORXDVTE-UMCMBGNQSA-N

Standard Name	CHEMBL	Pubchem CID	Drug Status	Drug Type
VER 155008	CHEMBL470334	25195300	Alone	Small Molecule

Drug Targets:

HSPA1A HSPA1B HSPA1L

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.
8999	CDKL2	1
23085	ERC1	2
21	ABCA3	6
4751	NEK2	1
114801	TMEM200A	2
79947	DHDDS	3
4627	MYH9	3
347365	ITIH6	2
80070	ADAMTS20	1
8573	CASK	2
25778	DSTYK	1
4352	MPL	5
9475	ROCK2	2
6597	SMARCA4	3
8780	RIOK3	1
390502	SERPINA2	2
64783	RBM15	2
23235	SIK2	2
23213	SULF1	3
23310	NCAPD3	3
7098	TLR3	1
604	BCL6	1
1813	DRD2	1
56164	STK31	2
5074	PAWR	1
29998	BICRA	2
2977	GUCY1A2	4
10438	C1D	2
5465	PPARA	3
7158	TP53BP1	3
6927	HNF1A	2
54567	DLL4	2
9578	CDC42BPB	1
7852	CXCR4	3
4610	MYCL	3
7025	NR2F1	3
3556	IL1RAP	1
80129	CCDC170	3
2736	GLI2	1
51804	SIX4	2
7088	TLE1	3
83983	TSSK6	2
6416	MAP2K4	2
79705	LRRK1	1
6098	ROS1	1
139285	AMER1	2
1123	CHN1	1
898	CCNE1	3
7184	HSP90B1	2
11143	KAT7	2
3791	KDR	3
225689	MAPK15	2
65243	ZFP69B	3
84075	FSCB	2
9967	THRAP3	1
4869	NPM1	2
8874	ARHGEF7	2
10516	FBLN5	2
65125	WNK1	2
4436	MSH2	3
84181	CHD6	2
4026	LPP	2
6280	S100A9	2
672	BRCA1	3
2060	EPS15	3
7204	TRIO	1
23373	CRTC1	3
5727	PTCH1	1
546	ATRX	2
54756	IL17RD	2
10769	PLK2	2
1000	CDH2	1
7043	TGFB3	3
10565	ARFGEF1	2
64919	BCL11B	2
5530	PPP3CA	2
7075	TIE1	1
1956	EGFR	2
11064	CNTRL	2
8021	NUP214	1
894	CCND2	3
204851	HIPK1	1
7153	TOP2A	1
84879	MFSD2A	3
1769	DNAH8	1
22976	PAXIP1	1
7468	NSD2	2
5728	PTEN	5
57521	RPTOR	3
208	AKT2	1
2316	FLNA	3
23281	MTUS2	6
83666	PARP9	3
352909	DNAAF3	3
4317	MMP8	3
79834	PEAK1	2
7059	THBS3	3
85415	RHPN2	2
29941	PKN3	3
2072	ERCC4	3
51151	SLC45A2	1
5291	PIK3CB	2
54101	RIPK4	2
283455	KSR2	2
3717	JAK2	1
5506	PPP1R3A	2
3709	ITPR2	1
8899	PRPF4B	2
3552	IL1A	2
4330	MN1	3
23250	ATP11A	3
1760	DMPK	1
4893	NRAS	5
8661	EIF3A	2
2258	FGF13	3
112268437	LOC112268437	2
4638	MYLK	2
4205	MEF2A	2
57120	GOPC	1
11086	ADAM29	2
9262	STK17B	3
2261	FGFR3	2
4591	TRIM37	3
5288	PIK3C2G	2
81788	NUAK2	3
2444	FRK	2
1795	DOCK3	5
5590	PRKCZ	2

Gene in drug-gene network: Network Plot

Models in VER 155008

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DATATYPES

CLASSFICATION

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