Drug Information

Drug General Information
Drug ID
D03TKT
Former ID
DIB020597
Drug Name
o-hydroxyatorvastatin
Synonyms
BMS-243887
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541810]
Formula
C33H35FN2O6
InChI
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41)/t24-,25-/m1/s1
InChIKey
CZBPKFICAYVHHM-JWQCQUIFSA-N
PubChem Compound ID
9808225
PubChem Substance ID
14764346, 15557152, 24115395, 44844216, 49786911, 53786422, 80226090, 103585193, 163642048, 178103316, 198972238, 239092115
Target and Pathway
Target(s) 3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [529527]
BioCyc Pathway Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathway
KEGG Pathway Terpenoid backbone biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
AMPK signaling pathway
Bile secretion
NetPath Pathway IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
TSH Signaling Pathway
PANTHER Pathway Cholesterol biosynthesis
PathWhiz Pathway Steroid Biosynthesis
WikiPathways Statin Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Activation of Gene Expression by SREBP (SREBF)
SREBF and miR33 in cholesterol and lipid homeostasis
Integrated Breast Cancer Pathway
SREBP signalling
Cholesterol Biosynthesis
References
Ref 541810(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: 6705).
Ref 529527Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase. J Med Chem. 2008 Jul 10;51(13):3804-13.

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