Drug General Information
Drug ID
D0CH7U
Former ID
DNC003068
Drug Name
2'-Monophosphoadenosine-5'-Diphosphate
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL

Formula
C10H16N5O13P3
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O<br />)OP(=O)(O)O
InChI
1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(27-29(17,18)19)6(16)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKey
YPTPYQSAVGGMFN-KQYNXXCUSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [551393]
PathWhiz Pathway Folate Metabolism
Pterine Biosynthesis
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific Transcription
References
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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