Drug Information

Drug General Information
Drug ID
D0I3XW
Former ID
DNC000998
Drug Name
NB-598
Drug Type
Small molecular drug
Indication Discovery agent Terminated [540107], [544824]
Structure
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2D MOL

3D MOL
Formula
C27H31NOS2
InChI
InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
InChIKey
KIRGLCXNEVICOG-SOFGYWHQSA-N
CAS Number
CAS 131060-14-5
PubChem Compound ID
6443223
PubChem Substance ID
11969045, 12014524, 14808557, 29217603, 43035751, 53466659, 57369379, 103197210, 103941282, 114567706, 134338732, 134340267, 135167254, 135650692, 163621011, 163686342, 172919320, 185974820, 234856456, 234856459, 252480125
Target and Pathway
Target(s) Squalene monooxygenase Target Info Inhibitor [535625]
KEGG Pathway Steroid biosynthesis
Sesquiterpenoid and triterpenoid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Biosynthesis of antibiotics
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
Activation of gene expression by SREBF (SREBP)
References
Ref 540107(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3103).
Ref 544824Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001234)
Ref 535625Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50.

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