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iGMDRD171

Canonical SMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI: InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1

InChI Key: WBXPDJSOTKVWSJ-ZDUSSCGKSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Pemetrexed	CHEMBL2360464 CHEMBL225072	446556	D07472	DB00642	Alone	DCL000320	Small Molecule

Drug Class:

Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins Antimetabolites Antineoplastic Agents Antineoplastic and Immunomodulating Agents Drugs for Obstructive Airway Diseases Enzyme Inhibitors Folate Analog Metabolic Inhibitor Folic Acid Analogues Folic Acid Antagonists Glutamates Guanine Heterocyclic Compounds Heterocyclic Compounds, 2-Ring Immunosuppressive Agents Myelosuppressive Agents Nucleic Acid Synthesis Inhibitors Purines Purinones Respiratory System Xanthine derivatives

Drug Targets:

TYMS (P04818)ATIC (P31939)DHFR (P00374)GART (P22102)

Drug Pathways:

One carbon pool by folate Folate biosynthesis

Drug Synonyms:

Pemetrexed (INN)Alimta (TN)Pemetrexed (TN)

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	5
3696	ITGB8	3
64901	RANBP17	2
8999	CDKL2	3
81037	CLPTM1L	3
5027	P2RX7	2
10221	TRIB1	3
9261	MAPKAPK2	3
7161	TP73	3
11183	MAP4K5	1
4627	MYH9	1
2956	MSH6	2
150465	TTL	1
3708	ITPR1	3
1588	CYP19A1	3
9706	ULK2	1
347365	ITIH6	2
3845	KRAS	3
4750	NEK1	3
5295	PIK3R1	2
8289	ARID1A	2
6351	CCL4	1
701	BUB1B	3
8573	CASK	2
3939	LDHA	2
3431	SP110	3
4352	MPL	5
7764	ZNF217	2
10395	DLC1	4
5133	PDCD1	4
843	CASP10	3
9530	BAG4	1
5754	PTK7	3
56776	FMN2	1
64783	RBM15	3
51684	SUFU	1
10892	MALT1	2
10863	ADAM28	3
6598	SMARCB1	1
4170	MCL1	1
5218	CDK14	3
3066	HDAC2	2
23310	NCAPD3	3
5298	PI4KB	3
2241	FER	4
341676	NEK5	3
57172	CAMK1G	1
6887	TAL2	1
140469	MYO3B	2
51199	NIN	1
28231	SLCO4A1	3
202374	STK32A	2
11329	STK38	3
10013	HDAC6	1
9411	ARHGAP29	4
85021	REPS1	3
8295	TRRAP	3
1111	CHEK1	1
2977	GUCY1A2	2
23617	TSSK2	3
2033	EP300	2
6927	HNF1A	2
8030	CCDC6	3
4361	MRE11	2
83439	TCF7L1	2
4595	MUTYH	3
57670	KIAA1549	2
2115	ETV1	2
4301	AFDN	4
5900	RALGDS	3
342977	NANOS3	1
131096	KCNH8	3
23012	STK38L	3
6256	RXRA	3
32	ACACB	1
3556	IL1RAP	1
26353	HSPB8	6
200576	PIKFYVE	4
80351	TNKS2	3
8313	AXIN2	2
1050	CEBPA	1
2260	FGFR1	3
51343	FZR1	2
10188	TNK2	6
11169	WDHD1	3
3688	ITGB1	3
7424	VEGFC	3
4982	TNFRSF11B	4
1992	SERPINB1	1
7078	TIMP3	3
2064	ERBB2	1
83983	TSSK6	1
8395	PIP5K1B	2
23191	CYFIP1	2
783	CACNB2	2
1452	CSNK1A1	3
29760	BLNK	3
8714	ABCC3	4
1973	EIF4A1	3
10087	COL4A3BP	3
6793	STK10	1
6464	SHC1	2
659	BMPR2	3
2778	GNAS	4
3667	IRS1	2
83903	HASPIN	4
28996	HIPK2	3
575	ADGRB1	3
7533	YWHAH	2
23152	CIC	1
7867	MAPKAPK3	3
9319	TRIP13	4
2201	FBN2	1
5108	PCM1	3
157753	TMEM74	1
3236	HOXD10	3
28514	DLL1	3
7298	TYMS	5
6092	ROBO2	2
4173	MCM4	3
3000	GUCY2D	2
65243	ZFP69B	2
863	CBFA2T3	4
2177	FANCD2	3
6197	RPS6KA3	3
65125	WNK1	6
7175	TPR	2
54106	TLR9	3
80205	CHD9	2
2000	ELF4	3
2175	FANCA	2
2668	GDNF	3
78989	COLEC11	4
5727	PTCH1	1
51366	UBR5	3
3426	CFI	4
3417	IDH1	3
5606	MAP2K3	1
5297	PI4KA	3
10926	DBF4	2
440275	EIF2AK4	2
1198	CLK3	2
9972	NUP153	3
2187	FANCB	4
5290	PIK3CA	2
6046	BRD2	1
3720	JARID2	3
2931	GSK3A	1
5034	P4HB	2
4145	MATK	3
5366	PMAIP1	3
7043	TGFB3	3
2318	FLNC	4
57154	SMURF1	2
675	BRCA2	2
607	BCL9	4
7075	TIE1	5
1956	EGFR	4
841	CASP8	2
64333	ARHGAP9	2
2624	GATA2	3
5789	PTPRD	1
26278	SACS	4
6776	STAT5A	3
51701	NLK	2
6446	SGK1	3
2189	FANCG	3
5156	PDGFRA	3
137872	ADHFE1	3
57082	KNL1	3
1213	CLTC	3
6011	GRK1	2
120892	LRRK2	3
89795	NAV3	2
867	CBL	3
6095	RORA	6
5128	CDK17	1
5294	PIK3CG	3
4298	MLLT1	2
5979	RET	6
664	BNIP3	1
23598	PATZ1	1
23049	SMG1	5
10010	TANK	2
8312	AXIN1	3
57521	RPTOR	2
2316	FLNA	3
55120	FANCL	3
667	DST	2
83666	PARP9	3
352909	DNAAF3	5
1950	EGF	2
2264	FGFR4	3
177	AGER	6
7465	WEE1	6
10257	ABCC4	1
10562	OLFM4	3
55359	STYK1	3
387	RHOA	3
9372	ZFYVE9	3
8821	INPP4B	2
8805	TRIM24	2
5532	PPP3CB	2
8394	PIP5K1A	2
2353	FOS	2
286151	FBXO43	2
7248	TSC1	3
9748	SLK	2
4619	MYH1	2
2932	GSK3B	1
57680	CHD8	4
2869	GRK5	3
10111	RAD50	2
100124696	TEC	3
3181	HNRNPA2B1	1
9201	DCLK1	2
3557	IL1RN	4
5927	KDM5A	3
1975	EIF4B	3
8317	CDC7	2
23139	MAST2	2
6778	STAT6	4
57118	CAMK1D	3
4067	LYN	4
4772	NFATC1	1
3977	LIFR	2
7112	TMPO	3
84072	HORMAD1	3
170685	NUDT10	3
23250	ATP11A	3
2903	GRIN2A	2
5925	RB1	3
5324	PLAG1	1
862	RUNX1T1	2
3691	ITGB4	2
7403	KDM6A	3
2308	FOXO1	3
7508	XPC	6
2258	FGF13	3
112268437	LOC112268437	3
23092	ARHGAP26	3
4299	AFF1	2
3092	HIP1	3
79966	SCD5	1
1840	DTX1	1
4193	MDM2	1
27255	CNTN6	2
2444	FRK	3
167359	NIM1K	2
1488	CTBP2	3

Gene in drug-gene network: Network Plot

Models in Pemetrexed

SITE

DATATYPES

CLASSFICATION

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