Drug Information

Drug General Information
Drug ID
D0O2CM
Former ID
DNC005137
Drug Name
FLUORO-NEPLANOCIN A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527252]
Structure
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2D MOL

3D MOL
Formula
C11H12FN5O3
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(=C3F)CO)O)O
InChI
1S/C11H12FN5O3/c12-5-4(1-18)8(19)9(20)7(5)17-3-16-6-10(13)14-2-15-11(6)17/h2-3,7-9,18-20H,1H2,(H2,13,14,15)/t7-,8-,9+/m1/s1
InChIKey
RWUXFWACUXDNKY-HLTSFMKQSA-N
PubChem Compound ID
498018
Target and Pathway
Target(s) Adenosylhomocysteinase Target Info Inhibitor [527252]
BioCyc Pathway Superpathway of methionine degradation
Methionine degradation
Cysteine biosynthesis
KEGG Pathway Cysteine and methionine metabolism
Metabolic pathways
PathWhiz Pathway Selenoamino Acid Metabolism
Betaine Metabolism
Methionine Metabolism
WikiPathways Metabolism of amino acids and derivatives
Trans-sulfuration and one carbon metabolism
One Carbon Metabolism
Trans-sulfuration pathway
Phase II conjugation
Folate Metabolism
References
Ref 527252Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4.Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-adenosylhomocysteine hydrolase.
Ref 527252Bioorg Med Chem Lett. 2004 Nov 15;14(22):5641-4.Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-adenosylhomocysteine hydrolase.

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