Drug Information

Drug General Information
Drug ID
D04LRN
Former ID
DNC004069
Drug Name
2-Benzyl-6-methoxy-5-oxazol-5-yl-1H-indole
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526581]
Structure
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2D MOL

3D MOL
Formula
C19H16N2O2
Canonical SMILES
COC1=C(C=C2C=C(NC2=C1)CC3=CC=CC=C3)C4=CN=CO4
InChI
1S/C19H16N2O2/c1-22-18-10-17-14(9-16(18)19-11-20-12-23-19)8-15(21-17)7-13-5-3-2-4-6-13/h2-6,8-12,21H,7H2,1H3
InChIKey
HWRLJNBXLQMWKB-UHFFFAOYSA-N
PubChem Compound ID
22238481
Target and Pathway
Target(s) Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [526581]
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 526581Bioorg Med Chem Lett. 2003 Apr 7;13(7):1273-6.Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3.
Ref 526581Bioorg Med Chem Lett. 2003 Apr 7;13(7):1273-6.Novel indole-based inhibitors of IMPDH: introduction of hydrogen bond acceptors at indole C-3.

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