Drug Information

Drug General Information
Drug ID
D0W3NA
Former ID
DNC003037
Drug Name
Coenzyme A
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540045]
Structure
Download
2D MOL

3D MOL
Formula
C21H36N7O16P3S
InChI
InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
InChIKey
RGJOEKWQDUBAIZ-IBOSZNHHSA-N
CAS Number
CAS 85-61-0
PubChem Compound ID
87642
PubChem Substance ID
3312, 584781, 585803, 820209, 821306, 821310, 821978, 821981, 821983, 822315, 825209, 826268, 826273, 826648, 826649, 827349, 827479, 828508, 829102, 829243, 829831, 829832, 830028, 830070, 830114, 831197, 831239, 832661, 832832, 832850, 833892, 835941, 836037, 836039, 836309, 836925, 837304, 838522, 838860, 841100, 854565, 854707, 854711, 854757, 854939, 854940, 7886704, 8012126, 8015117, 8017121
Target and Pathway
Target(s) Pantothenate kinase Target Info Inhibitor [551393]
3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [551393]
Probable naphthoate synthase menB Target Info Inhibitor [551393]
Phosphopantetheine adenylyltransferase Target Info Inhibitor [551393]
Carnitine acyltransferase Target Info Inhibitor [551393]
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 secretionhsa00770:Pantothenate and CoA biosynthesis
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 BiosynthesisWP1857:Metabolism of water-soluble vitamins and cofactors
References
Ref 540045(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: 3044).
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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