Drug General Information
Drug ID
D0A4AL
Former ID
DNC000374
Drug Name
C2-MAD
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535354]
Structure
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2D MOL

3D MOL

Formula
C23H29N5O13P2
Canonical SMILES
CC1=C(C(=C(C2=C1COC2=O)O)CCOP(=O)(CP(=O)(O)OCC3C(C(C(O3<br />)N4C=NC5=C4N=CN=C5N)O)O)O)OC
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
InChIKey
AMYUZLUBFKOUEX-JKWAKEATSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [535354]
BioCyc Pathway 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
Ref 535354Novel mycophenolic adenine bis(phosphonate) analogues as potential differentiation agents against human leukemia. J Med Chem. 2002 Jan 31;45(3):703-12.
Ref 535354Novel 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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