Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03ITH
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| Former ID |
DNC006835
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| Drug Name |
1-(cyclohexyl)methyl-5'-O-tritylinosine
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| Synonyms |
CHEMBL211259; BDBM50194181
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C36H38N4O5
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| Canonical SMILES |
C1CCC(CC1)CN2C=NC3=C(C2=O)N=CN3C4C(C(C(O4)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)O
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| InChI |
1S/C36H38N4O5/c41-31-29(22-44-36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28)45-35(32(31)42)40-24-37-30-33(40)38-23-39(34(30)43)21-25-13-5-1-6-14-25/h2-4,7-12,15-20,23-25,29,31-32,35,41-42H,1,5-6,13-14,21-22H2/t29-,31-,32-,35-/m1/s1
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| InChIKey |
CFSSQQKSMHGUJB-QSYCCZFCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Thymidine phosphorylase (TYMP) | Target Info | Inhibitor | [1] |
| BioCyc | Pyrimidine deoxyribonucleosides degradation | |||
| KEGG Pathway | Pyrimidine metabolism | |||
| Drug metabolism - other enzymes | ||||
| Metabolic pathways | ||||
| Bladder cancer | ||||
| NetPath Pathway | TSH Signaling Pathway | |||
| Pathwhiz Pathway | Pyrimidine Metabolism | |||
| WikiPathways | Bladder Cancer | |||
| Metabolism of nucleotides | ||||
| Fluoropyrimidine Activity | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 5'-O-tritylinosine and analogues as allosteric inhibitors of human thymidine phosphorylase. J Med Chem. 2006 Sep 7;49(18):5562-70. | |||
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