loading...| Preferred Name |
methotrexate |
|
| Synonyms |
Trexall N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid methotrexate C20H22N8O5 4-amino-N(10)-methylpteroylglutamic acid Ledertrexate METHOTREXATE Rheumatrex metotrexato MTX (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid Methotrexate Emtexate 4-amino-10-methylfolic acid methotrexatum N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_44185 |
|
| AHFScode |
10:00.00 |
|
| altId |
CHEBI:44183 CHEBI:6837 |
|
| ATCCode |
L01BA01 L04AX03 |
|
| CASRN |
59-05-2 |
|
| DBBrand |
mexate methotrate ledertrexate emtexate arbitrexate rheumatrex folex abitrexate trexall antifolan metatrexan |
|
| DBname |
methotrexate |
|
| DBSalt |
methotrexate sodium |
|
| DBSynonym |
n-bismethylpteroylglutamic acid hdmtx methylaminopterin methotrexat mtx amethopterine methotextrate l-amethopterin methotrexatum methopterin methylaminopterinum amethopterin |
|
| Definition |
A pteridine that has formula C20H22N8O5. |
|
| has pharmacological target | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_50683 http://purl.obolibrary.org/obo/CHEBI_59517 http://purl.obolibrary.org/obo/CHEBI_35221 http://purl.obolibrary.org/obo/CHEBI_50177 |
|
| 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 |
|
| InChIKey |
InChIKey=FBOZXECLQNJBKD-ZDUSSCGKSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_0588 http://purl.obolibrary.org/obo/dinto_1973 http://purl.obolibrary.org/obo/dinto_1975 http://purl.obolibrary.org/obo/dinto_0887 http://purl.obolibrary.org/obo/dinto_0433 http://purl.obolibrary.org/obo/dinto_0811 http://purl.obolibrary.org/obo/dinto_1365 http://purl.obolibrary.org/obo/dinto_2828 http://purl.obolibrary.org/obo/dinto_1600 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_1622 http://purl.obolibrary.org/obo/dinto_3484 http://purl.obolibrary.org/obo/dinto_1600 http://purl.obolibrary.org/obo/dinto_3587 |
|
| is transported by |
http://purl.obolibrary.org/obo/dinto_0588 http://purl.obolibrary.org/obo/dinto_1977 http://purl.obolibrary.org/obo/dinto_1975 http://purl.obolibrary.org/obo/dinto_0887 http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2125 http://purl.obolibrary.org/obo/dinto_3325 http://purl.obolibrary.org/obo/dinto_2019 http://purl.obolibrary.org/obo/dinto_1810 http://purl.obolibrary.org/obo/dinto_4301 http://purl.obolibrary.org/obo/dinto_1824 http://purl.obolibrary.org/obo/dinto_1822 http://purl.obolibrary.org/obo/dinto_1987 http://purl.obolibrary.org/obo/dinto_1365 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_2828 http://purl.obolibrary.org/obo/dinto_1763 http://purl.obolibrary.org/obo/dinto_1756 |
|
| label |
methotrexate |
|
| prefixIRI |
obo2:CHEBI_44185 |
|
| prefLabel |
methotrexate |
|
| related with | ||
| SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |
|
| Synonym |
Trexall N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-L-glutamic acid methotrexate C20H22N8O5 4-amino-N(10)-methylpteroylglutamic acid Ledertrexate METHOTREXATE Rheumatrex metotrexato MTX (2S)-2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid N-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]-L-glutamic acid Methotrexate Emtexate 4-amino-10-methylfolic acid methotrexatum N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid |
|
| xref |
KEGG DRUG:D00142 PDBeChem:MTX NIST Chemistry WebBook:59-05-2 PDRhealth:http://www.pdrhealth.com/drug_info/rxdrugprofiles/drugs/met1257.shtml Wikipedia:http://en.wikipedia.org/wiki/Methotrexate RxList:http://www.rxlist.com/cgi/generic/mtx.htm CASRN:59-05-2 BindingDB:18050 ChemSpider:112728 PubChem Compound:126941 Wikipedia:Methotrexate ChEBI:6837 National Drug Code Directory:67253-320-10 PubChem Substance:46507678 ChEMBL:149931 Beilstein:70669 PharmGKB:PA450428 PDB:MTX DrugBank:DB00563 Drugs.com:http://www.drugs.com/methotrexate.html Patent:US2512572 KEGG COMPOUND:C01937 Drugs Product Database (DPD):2244798 |
|
| subClassOf |