Drug Information

Drug General Information
Drug ID
D0R2QS
Former ID
DNC001008
Drug Name
Neplanocin A
Drug Type
Small molecular drug
Indication Discovery agent Terminated [544782]
Structure
Download
2D MOL

3D MOL
Formula
C11H13N5O3
Canonical SMILES
C1=C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)CO
InChI
1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
InChIKey
XUGWUUDOWNZAGW-VDAHYXPESA-N
CAS Number
CAS 72877-50-0
PubChem Compound ID
72968
PubChem Substance ID
611408, 8195497, 12013272, 14799029, 15197117, 43129021, 49959367, 57318906, 80222115, 103072137, 103078366, 103167345, 103919646, 104354191, 117519867, 129741866, 134339952, 134340276, 135030644, 139126153, 162905296, 163780588, 175608096, 210024031, 235755616
Target and Pathway
Target(s) Adenosylhomocysteinase Target Info Inhibitor [537918]
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 544782Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001045)
Ref 537918Molecular approaches for the treatment of hemorrhagic fever virus infections. Antiviral Res. 1993 Sep;22(1):45-75.

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