Drug Information
Drug General Information | Top | |||
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Drug ID |
D0I3XW
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Former ID |
DNC000998
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Drug Name |
NB-598
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Synonyms |
KIRGLCXNEVICOG-SOFGYWHQSA-N; 131060-14-5; NB 598; CHEMBL27885; (E)-3-[(3,3'-Bithiophen)-5-ylmethoxy]-N-(6,6-dimethyl-2-hepten-4-ynyl)-N-ethylbenzylamine; (2E)-N-({3-[([3,3'-bithiophen]-5-yl)methoxy]phenyl}methyl)-N-ethyl-6,6-dimethylhept-2-en-4-yn-1-amine; AC1O5YMV; SCHEMBL9454494; C27H31NOS2; GTPL3103; SCHEMBL9454490; (E)-N-ethyl-6,6-dimethyl-N-[[3-[(4-thiophen-3-ylthiophen-2-yl)methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine; ZINC2003883; BCP28146; EX-A1748; BDBM50032850; 3914AH; AKOS030526399; CS-1274; NCGC00165845-01
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Drug Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C27H31NOS2
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Canonical SMILES |
CCN(CC=CC#CC(C)(C)C)CC1=CC(=CC=C1)OCC2=CC(=CS2)C3=CSC=C3
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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+
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InChIKey |
KIRGLCXNEVICOG-SOFGYWHQSA-N
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CAS Number |
CAS 131060-14-5
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Squalene monooxygenase (SQLE) | Target Info | Inhibitor | [1] |
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 | Top | |||
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REF 1 | Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50. |
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