Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03HDS
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| Former ID |
DNC000375
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| Drug Name |
C4-MAD
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| Synonyms |
C4-MAD; AC1O51QQ; CHEMBL1170847; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[[hydroxy-[(E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-2-methyl-but-2-enoxy]phosphoryl]methyl]phosphinic acid; 9H-Purin-6-amine, 9-[5-O-[[[[[(2E)-4-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-2-methyl-2-butenyl]oxy]hydroxyphosphinyl]methyl]hydroxyphosphinyl]pentofuranosyl]-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C26H33N5O13P2
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| Canonical SMILES |
CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O
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| InChI |
1S/C26H33N5O13P2/c1-12(4-5-14-19(32)17-15(7-41-26(17)35)13(2)22(14)40-3)6-42-45(36,37)11-46(38,39)43-8-16-20(33)21(34)25(44-16)31-10-30-18-23(27)28-9-29-24(18)31/h4,9-10,16,20-21,25,32-34H,5-8,11H2,1-3H3,(H,36,37)(H,38,39)(H2,27,28,29)/b12-4+/t16-,20-,21-,25-/m1/s1
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| InChIKey |
MCYWJNDIVYMDSF-AWOYCZEKSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) | Target Info | Inhibitor | [1] |
| BioCyc | Purine nucleotides degradation | |||
| Urate biosynthesis/inosine 5'-phosphate degradation | ||||
| Guanosine nucleotides de novo biosynthesis | ||||
| Superpathway of purine nucleotide salvage | ||||
| Purine nucleotides de novo biosynthesis | ||||
| Guanosine ribonucleotides de novo biosynthesis | ||||
| KEGG Pathway | Purine metabolism | |||
| Drug metabolism - other enzymes | ||||
| Metabolic pathways | ||||
| Panther Pathway | De novo purine biosynthesis | |||
| Reactome | Purine ribonucleoside monophosphate biosynthesis | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel mycophenolic adenine bis(phosphonate) analogues as potential differentiation agents against human leukemia. J Med Chem. 2002 Jan 31;45(3):703-12. | |||
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