Drug Information

Drug General Information
Drug ID
D0H9WN
Former ID
DNC001025
Drug Name
NK-104
Drug Type
Small molecular drug
Indication Discovery agent Phase 4 [523598]
Structure
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2D MOL

3D MOL
Formula
C50H46CaF2N2O8
Canonical SMILES
C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C<br />(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O<br />)C4=CC=C(C=C4)F.[Ca+2]
InChI
1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChIKey
RHGYHLPFVJEAOC-FFNUKLMVSA-L
CAS Number
CAS 10031-30-8
PubChem Compound ID
5282451
PubChem Substance ID
7848924, 8617070, 12014762, 16872488, 23428591, 39315894, 49975635, 57358677, 57376334, 75080943, 93815175, 99030418, 99431915, 104253362, 113857239, 123085719, 124757480, 125164284, 126665735, 134340287, 134350658, 135088064, 135692263, 135723221, 136380326, 152039826, 152211772, 160655824, 162037718, 165235332, 174472621, 175266302, 175437732, 184545481, 187072354, 196106366, 203355914, 223659745, 223968289, 226411681, 249850019, 250199263, 251891354, 252035830, 252158482, 252218837, 252432156, 252470957
Target and Pathway
Target(s) 3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [535153]
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 523598ClinicalTrials.gov (NCT01422382) Drug-Drug Interaction of Cardizem LA (Diltiazem Hydrochloride) on Pitavastatin. U.S. National Institutes of Health.
Ref 535153Cholesterol-lowering effect of NK-104, a 3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitor, in guinea pig model of hyperlipidemia. Arzneimittelforschung. 2001;51(3):197-203.

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