Drug General Information
Drug ID
D03HDS
Former ID
DNC000375
Drug Name
C4-MAD
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535354]
Structure
Download
2D MOL

3D MOL

Formula
C26H33N5O13P2
Canonical SMILES
CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)COP(=O)(CP(=O)(O)OCC3C(<br />C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)OC
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
InChIKey
MCYWJNDIVYMDSF-AWOYCZEKSA-N
CAS Number
CAS 147497-64-1
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.