SEARCH

HOME / SEARCH / Methotrexate

iGMDRD112

Canonical SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI: InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1

InChI Key: FBOZXECLQNJBKD-ZDUSSCGKSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Methotrexate	CHEMBL3244648 CHEMBL34259 CHEMBL1376974	126941	D02115	DB00563	Alone	DNC000933	Small Molecule

Drug Class:

Abortifacient Agents Abortifacient Agents, Nonsteroidal Aminopterin Antimetabolites Antimetabolites, Antineoplastic Antineoplastic Agents Antineoplastic and Immunomodulating Agents Antirheumatic Agents BCRP/ABCG2 Substrates Biological Factors Cardiotoxic antineoplastic agents Dermatologicals Enzyme Inhibitors Folate Analog Metabolic Inhibitor Folic Acid Analogues Folic Acid Antagonists Heterocyclic Compounds Heterocyclic Compounds, 2-Ring Immunologic Factors Immunosuppressive Agents Myelosuppressive Agents Noxae Nucleic Acid Synthesis Inhibitors OAT3 Substrates OATP1B1/SLCO1B1 Substrates P-glycoprotein/ABCB1 Substrates Pigments, Biological Pteridines Pterins Reproductive Control Agents Toxic Actions

Drug Targets:

DHFR (P00374)Antimetabolite

Drug Pathways:

DNA replication One carbon pool by folate Folate biosynthesis Bile secretion

Drug Synonyms:

Methotrexate sodium Trexall (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.
8266	UBL4A	1
9757	KMT2B	1
1387	CREBBP	1
1111	CHEK1	1
4851	NOTCH1	1
7158	TP53BP1	1
238	ALK	1
2064	ERBB2	1
983	CDK1	1
6850	SYK	1
10413	YAP1	1
3932	LCK	1
7157	TP53	1
3673	ITGA2	1
3791	KDR	1
4086	SMAD1	1
2309	FOXO3	1
4904	YBX1	1
4089	SMAD4	1
1956	EGFR	1
3553	IL1B	1
1977	EIF4E	1
2648	KAT2A	1
9223	MAGI1	1
5111	PCNA	1
100862685	ERVK-19	1
2065	ERBB3	1
54790	TET2	1
142	PARP1	1
4763	NF1	1

Gene in drug-gene network: Network Plot

Models in Methotrexate

SITE

DATATYPES

CLASSFICATION

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