Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0A4AL
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| Former ID |
DNC000374
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| Drug Name |
C2-MAD
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| Synonyms |
C2-MYCOPHENOLIC ADENINE DINUCLEOTIDE; CHEMBL410744; {[5-(6-AMINO-PURIN-7-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YLMETHOXY]-HYDROXY-PHOSPHORYLMETHYL}-PHOSPHONIC ACID MONO-[2-(4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-1,3-DIHYDRO-ISOBENZOFURAN-5-YL)-ETHYL] ESTER; C2-MAD; AC1L9X62; BDBM19265; C2-Mycophenolic Adenine Dinucleotide (C2-MDA); MYD; 4-Methyl-5-methoxy-6-[2-(5'-adenylylmethylphosphonyloxy)ethyl]-7-hydroxyisobenzofuran-1(3H)-one
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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 |
C23H29N5O13P2
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| Canonical SMILES |
CC1=C2COC(=O)C2=C(C(=C1OC)CCOP(=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/C23H29N5O13P2/c1-10-12-5-38-23(32)14(12)16(29)11(19(10)37-2)3-4-39-42(33,34)9-43(35,36)40-6-13-17(30)18(31)22(41-13)28-8-27-15-20(24)25-7-26-21(15)28/h7-8,13,17-18,22,29-31H,3-6,9H2,1-2H3,(H,33,34)(H,35,36)(H2,24,25,26)/t13-,17-,18-,22-/m1/s1
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| InChIKey |
AMYUZLUBFKOUEX-JKWAKEATSA-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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