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The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
| Id | http://purl.obolibrary.org/obo/dinto_DB00293
http://purl.obolibrary.org/obo/dinto_DB00293
|
|---|---|
| Preferred Name | raltitrexed |
| Synonyms |
(2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid
C21H22N4O6S
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| prefLabel | raltitrexed
|
|---|---|
| label | raltitrexed
|
| DBSynonym |
zd1694
zd-1694
|
| ATCCode | L01BA03
|
| Definition | Raltitrexed (brand name Tomudex and reg;) is a chemotherapy drug manufactured AstraZeneca Company, is an antimetabolite used in chemotherapy. It is an inhibitor of thymidylate synthase.
|
| has effect |
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| has pharmacological target | |
| inhibits | |
| type | |
| InChIKey | InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N
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| blocks | |
| AHFScode | 92:00.00
|
| Synonym | (2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid
C21H22N4O6S
|
| xref |
Drugs Product Database (DPD):2229566
ChemSpider:94568
PubChem Compound:104758
PubChem Substance:46504880
PDB:D16
PharmGKB:PA131625240
BindingDB:18795
Wikipedia:http://en.wikipedia.org/wiki/Raltitrexed
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| CASRN | 112887-68-0
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| prefixIRI | obo2:dinto_DB00293
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| SMILES | CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
|
| InChI | InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1
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| DBBrand | tomudex
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| subClassOf |
| Delete | Subject | Author | Type | Created |
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| No notes to display |