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iGMDRD79

Canonical SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F

InChI: InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1

InChI Key: SDUQYLNIPVEERB-QPPQHZFASA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Gemcitabine	CHEMBL888 CHEMBL1637	60750	D02368	DB00441	Alone	DAP001246	Small Molecule

Drug Class:

Anti-Infective Agents Antimetabolites Antimetabolites, Antineoplastic Antineoplastic Agents Antineoplastic and Immunomodulating Agents Antiviral Agents Carbohydrates Cytidine Deoxyribonucleosides Enzyme Inhibitors Glycosides Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Immunologic Factors Immunosuppressive Agents Myelosuppressive Agents Noxae Nucleic Acids, Nucleotides, and Nucleosides Nucleoside Metabolic Inhibitor Nucleosides P-glycoprotein/ABCB1 Substrates Pyrimidine Analogues Pyrimidine Nucleosides Pyrimidines Radiation-Sensitizing Agents Ribonucleosides Ribonucleotide Reductases, antagonists & inhibitors Toxic Actions

Drug Targets:

Pyrimidine antimetabolite DNA replication RRM1 (P23921)TYMS (P04818)CMPK1 (P30085)

Drug Pathways:

DNA replication Purine metabolism Pyrimidine metabolism

Drug Synonyms:

Gemcitabine (USAN/INN)

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.
27125	AFF4	4
4854	NOTCH3	5
7514	XPO1	1
81037	CLPTM1L	1
997	CDC34	3
79054	TRPM8	3
8444	DYRK3	2
132	ADK	2
5933	RBL1	3
114801	TMEM200A	3
5546	PRCC	2
2956	MSH6	1
51765	STK26	3
7272	TTK	3
3845	KRAS	6
3757	KCNH2	3
5295	PIK3R1	2
23552	CDK20	2
6563	SLC14A1	1
8289	ARID1A	5
84700	MYO18B	2
1263	PLK3	2
6597	SMARCA4	2
9869	SETDB1	2
4036	LRP2	3
2176	FANCC	2
10395	DLC1	2
353345	GPR141	2
7444	VRK2	2
6657	SOX2	3
390502	SERPINA2	4
56776	FMN2	3
64783	RBM15	2
4771	NF2	1
3066	HDAC2	3
10142	AKAP9	1
22853	LMTK2	4
28986	MAGEH1	1
27	ABL2	5
340371	NRBP2	3
6318	SERPINB4	2
7048	TGFBR2	3
79934	COQ8B	5
1387	CREBBP	2
1893	ECM1	3
2043	EPHA4	6
5467	PPARD	1
5788	PTPRC	1
2313	FLI1	2
11200	CHEK2	3
3604	TNFRSF9	4
8295	TRRAP	1
11122	PTPRT	2
6722	SRF	1
5314	PKHD1	1
7158	TP53BP1	1
55294	FBXW7	3
54567	DLL4	2
8784	TNFRSF18	4
6241	RRM2	1
83439	TCF7L1	1
1454	CSNK1E	1
55728	N4BP2	1
54477	PLEKHA5	2
440279	UNC13C	6
84033	OBSCN	2
11011	TLK2	3
342667	STAC2	6
342977	NANOS3	3
6240	RRM1	1
152137	CCDC50	1
1540	CYLD	4
8600	TNFSF11	3
122011	CSNK1A1L	2
9693	RAPGEF2	4
3084	NRG1	1
169436	STKLD1	2
222484	LNX2	2
32	ACACB	7
3556	IL1RAP	2
22984	PDCD11	4
6733	SRPK2	2
1050	CEBPA	1
114548	NLRP3	3
4739	NEDD9	3
284217	LAMA1	3
83931	STK40	6
55681	SCYL2	3
2045	EPHA7	5
1277	COL1A1	1
7078	TIMP3	1
2064	ERBB2	3
983	CDK1	1
85443	DCLK3	2
65266	WNK4	1
6850	SYK	2
287015	TRIM42	3
6663	SOX10	1
9020	MAP3K14	2
54899	PXK	4
23191	CYFIP1	3
4294	MAP3K10	3
783	CACNB2	2
6416	MAP2K4	3
1452	CSNK1A1	1
158056	MAMDC4	5
10087	COL4A3BP	3
659	BMPR2	3
6917	TCEA1	6
3667	IRS1	2
80243	PREX2	4
472	ATM	1
4605	MYBL2	3
1009	CDH11	2
8148	TAF15	2
28996	HIPK2	2
4058	LTK	5
7010	TEK	2
10290	SPEG	3
27436	EML4	3
157753	TMEM74	4
57523	NYNRIN	1
83694	RPS6KL1	3
1910	EDNRB	3
2868	GRK4	4
861	RUNX1	2
28514	DLL1	4
7157	TP53	10
6092	ROBO2	1
4602	MYB	2
79058	ASPSCR1	2
6794	STK11	2
25836	NIPBL	2
8218	CLTCL1	1
114788	CSMD3	3
2263	FGFR2	1
4086	SMAD1	1
7249	TSC2	2
8833	GMPS	3
8874	ARHGEF7	3
369	ARAF	2
3572	IL6ST	3
4436	MSH2	2
50945	TBX22	1
652	BMP4	3
6035	RNASE1	3
5650	KLK7	1
80205	CHD9	5
57578	UNC79	2
4026	LPP	5
8997	KALRN	3
23269	MGA	3
23469	PHF3	3
672	BRCA1	3
256536	TCERG1L	1
10733	PLK4	1
285220	EPHA6	1
51366	UBR5	4
5606	MAP2K3	3
10769	PLK2	3
5578	PRKCA	3
602	BCL3	1
50615	IL21R	3
5290	PIK3CA	3
3720	JARID2	4
1687	GSDME	2
5045	FURIN	4
64919	BCL11B	3
57154	SMURF1	2
2030	SLC29A1	1
10155	TRIM28	1
7075	TIE1	6
1956	EGFR	2
841	CASP8	4
4609	MYC	3
54206	ERRFI1	1
7515	XRCC1	1
4684	NCAM1	1
6935	ZEB1	1
5592	PRKG1	3
5187	PER1	6
7917	BAG6	2
93627	TBCK	2
137872	ADHFE1	6
56924	PAK6	3
7153	TOP2A	4
3315	HSPB1	1
23532	PRAME	3
780	DDR1	2
11126	CD160	6
6095	RORA	4
7301	TYRO3	2
1938	EEF2	1
8626	TP63	7
9113	LATS1	3
460	ASTN1	2
9321	TRIP11	4
9451	EIF2AK3	3
11262	SP140	3
5563	PRKAA2	3
10010	TANK	3
8312	AXIN1	4
55521	TRIM36	4
5728	PTEN	3
8888	MCM3AP	2
55120	FANCL	3
22883	CLSTN1	2
5305	PIP4K2A	3
6770	STAR	4
2324	FLT4	3
1676	DFFA	1
23090	ZNF423	4
7273	TTN	1
56616	DIABLO	3
7465	WEE1	1
6789	STK4	1
596	BCL2	3
55356	SLC22A15	6
85415	RHPN2	4
203447	NRK	3
79012	CAMKV	4
22843	PPM1E	1
2353	FOS	4
2072	ERCC4	2
51151	SLC45A2	5
558	AXL	2
4619	MYH1	1
57680	CHD8	1
778	CACNA1F	2
171389	NLRP6	4
55289	ACOXL	2
57650	CIP2A	1
9659	PDE4DIP	1
63976	PRDM16	2
7293	TNFRSF4	9
54101	RIPK4	3
283455	KSR2	1
2130	EWSR1	2
7291	TWIST1	1
131890	GRK7	4
2213	FCGR2B	3
5111	PCNA	1
1719	DHFR	3
5170	PDPK1	2
2131	EXT1	3
7099	TLR4	3
53335	BCL11A	5
4221	MEN1	2
100862685	ERVK-19	1
51562	MBIP	3
80216	ALPK1	3
3977	LIFR	2
330	BIRC3	3
3656	IRAK2	6
84072	HORMAD1	1
2122	MECOM	2
1760	DMPK	2
5925	RB1	2
112268437	LOC112268437	1
5586	PKN2	3
55959	SULF2	1
9878	TOX4	3
142	PARP1	2
4040	LRP6	2
8814	CDKL1	3
57697	FANCM	2
10891	PPARGC1A	4
4286	MITF	3
57096	RPGRIP1	2
5287	PIK3C2B	2
4629	MYH11	4
4193	MDM2	2
23112	TNRC6B	4
2178	FANCE	2
1803	DPP4	1
83732	RIOK1	1
1499	CTNNB1	3
2886	GRB7	3
2904	GRIN2B	1
5624	PROC	3
5590	PRKCZ	2

Gene in drug-gene network: Network Plot

Models in Gemcitabine

SITE

DATATYPES

CLASSFICATION

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