Drug Information

Drug General Information
Drug ID
D0W1MX
Former ID
DNC009027
Drug Name
BMS-187745
Drug Type
Small molecular drug
Indication Hyperlipidaemia [ICD9: 272.0-272.4; ICD10:E78] Discontinued in Phase 2 [531655]
Structure
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2D MOL

3D MOL
Formula
C16H16K3O7PS
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=<br />O)[O-].[K+].[K+].[K+]
InChI
1S/C16H19O7PS.3K/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14;;;/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3
InChIKey
DRADVLDMPYYQDB-UHFFFAOYSA-K
PubChem Compound ID
16730264
Target and Pathway
Target(s) Squalene synthetase Target Info Inhibitor [529947]
BioCyc Pathway Cholesterol biosynthesis II (via 24,25-dihydrolanosterol)
Cholesterol biosynthesis III (via desmosterol)
Cholesterol biosynthesis I
Superpathway of cholesterol biosynthesis
Epoxysqualene biosynthesis
KEGG Pathway Steroid biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
PANTHER Pathway Cholesterol biosynthesis
PathWhiz Pathway Steroid Biosynthesis
Reactome Cholesterol biosynthesis
PPARA activates gene expression
Activation of gene expression by SREBF (SREBP)
WikiPathways Statin Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Activation of Gene Expression by SREBP (SREBF)
SREBP signalling
Cholesterol Biosynthesis
Cholesterol biosynthesis
References
Ref 531655Potential role of nonstatin cholesterol lowering agents. IUBMB Life. 2011 Nov;63(11):964-71.
Ref 529947J Med Chem. 2009 Feb 26;52(4):976-88.Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus.

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