Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01KKQ
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| Former ID |
DAP000759
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| Drug Name |
Raltitrexed
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| Synonyms |
Tomudex; 112887-68-0; ZD1694; ZD-1694; ICI-D1694; D-1694; ZD 1694; ICI D1694; UNII-FCB9EGG971; D1694; D 1694; CHEBI:5847; Raltitrexed (Tomudex); C21H22N4O6S; ZD-16; (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid; FCB9EGG971; CHEMBL225071; N-(5-(N-(3,4-Dihydro-2-methyl-4-oxoquinazolin-6-ylmethyl)-N-methylamino)-2-thenoyl)-L-glutamic acid; ICI-D-1694; NSC-639186; NCGC00229704-01; DSSTox_RID_81653; DSSTox_CID_26482; DSSTox_GSID_46482
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| Drug Type |
Small molecular drug
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| Indication | Rectal adenocarcinoma [ICD-11: 2B92; ICD-10: C50] | Approved | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
AstraZeneca
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| Structure |
 |
Download2D MOL |
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| Formula |
C21H22N4O6S
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| Canonical SMILES |
CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1
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| 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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| InChIKey |
IVTVGDXNLFLDRM-HNNXBMFYSA-N
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| CAS Number |
CAS 112887-68-0
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| PubChem Compound ID | ||||
| PubChem Substance ID |
13546, 499545, 643863, 822152, 832006, 834766, 7848127, 7886856, 10233592, 11417383, 12014189, 14906899, 16528454, 16861576, 44434371, 46386823, 46392177, 46394312, 46394338, 46504880, 46518849, 49681782, 49972881, 50445232, 53788217, 57337824, 81092886, 87568168, 91615849, 92308617, 92717646, 96100342, 99436931, 103512884, 104372860, 118855342, 124659060, 124757069, 124939249, 125163873, 126592925, 126670692, 127341460, 127341461, 128227540, 131480725, 134338044, 135060746, 135659878, 136342515
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| ChEBI ID |
CHEBI:5847
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| ADReCS Drug ID | BADD_D01907 | |||
| SuperDrug ATC ID |
L01BA03
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| SuperDrug CAS ID |
cas=112887680
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7403). | |||
| REF 2 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 3 | DNA damage and homologous recombination signaling induced by thymidylate deprivation. Biochem Pharmacol. 2008 Oct 15;76(8):987-96. | |||
| REF 4 | Cellular pharmacology of MTA: a correlation of MTA-induced cellular toxicity and in vitro enzyme inhibition with its effect on intracellular folate and nucleoside triphosphate pools in CCRF-CEM cells. Semin Oncol. 1999 Apr;26(2 Suppl 6):48-54. | |||
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