Drug Information

Drug General Information
Drug ID
D0R6JE
Former ID
DNC002947
Drug Name
Nicotinamide-Adenine-Dinucleotide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL
Formula
C21H27N7O14P2
Canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC<br />C3C(C(C(O3)[N+]4=CNC5=C4N=CN=C5N)O)O)O)O)C(=O)N
InChI
1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
BAWFJGJZGIEFAR-NNYOXOHSSA-N
CAS Number
CAS 53-84-9
PubChem Compound ID
5288979
PubChem Substance ID
7889280, 50431507, 113873271
Target and Pathway
Target(s) Estradiol 17 beta-dehydrogenase 4 Target Info Inhibitor [551393]
L-lactate dehydrogenase Target Info Inhibitor [551393]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [551393]
Deoxyhypusine synthase Target Info Inhibitor [551393]
Alpha-glucosidase Target Info Inhibitor [551393]
Biliverdin reductase A Target Info Inhibitor [551393]
Enoyl-ACP reductase Target Info Inhibitor [551393]
Probable nicotinate-nucleotide adenylyltransferase Target Info Inhibitor [551393]
Alcohol dehydrogenase Target Info Inhibitor [551393]
Dihydrolipoamide dehydrogenase, mitochondrial Target Info Inhibitor [551393]
Aldehyde dehydrogenase, mitochondrial Target Info Inhibitor [551393]
Maltase-glucoamylase, intestinal Target Info Inhibitor [551393]
Nicotinate-nucleotide adenylyltransferase Target Info Inhibitor [551393]
3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [551393]
3-dehydroquinate synthase Target Info Inhibitor [551393]
Adenosylhomocysteinase Target Info Inhibitor [551393]
Glutathione reductase, mitochondrial Target Info Inhibitor [551393]
Enoyl-[acyl-carrier-protein] reductase [NADH] Target Info Inhibitor [551393]
Inosine-5'-monophosphate dehydrogenase 2 Target Info Inhibitor [551393]
NH(3)-dependentNAD(+) synthetase Target Info Inhibitor [551393]
Haemophilus influenzae NadR protein Target Info Inhibitor [551393]
Sorbitoldehydrogenase Target Info Inhibitor [551393]
Flavohemoglobin Target Info Inhibitor [551393]
UDP-glucose 4-epimerase Target Info Inhibitor [551393]
BioCyc Pathway Fatty acid beta-oxidation (peroxisome)PWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis IPWY-5905:Hypusine biosynthesisPWY-5874:Heme degradationPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptaminePWY-5910:Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathwayPWY-5328:Superpathway of methionine degradation
Methionine degradation
Cysteine biosynthesisPWY-6353:Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides de novo biosynthesis
Superpathway of purine nucleotide salvage
Purine nucleotides de novo biosynthesis
Guanosine ribonucleotides de novo biosynthesisPWY-4101:Sorbitol degradation IPWY66-422:D-galactose degradation V (Leloir pathway)
UDP-N-acetyl-D-galactosamine biosynthesis I
UDP-N-acetyl-D-galactosamine biosynthesis II
KEGG Pathway Primary bile acid biosynthesis
Metabolic pathways
Peroxisomehsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesishsa00860:Porphyrin and chlorophyll metabolismpae00760:Nicotinate and nicotinamide metabolism
Metabolic pathwayshsa00010:Glycolysis / Gluconeogenesis
Pentose and glucuronate interconversions
Glycerolipid metabolism
Biosynthesis of antibiotics
Degradation of aromatic compoundshsa00010:Glycolysis / Gluconeogenesis
Ascorbate and aldarate metabolism
Fatty acid degradation
Valine, leucine and isoleucine degradation
Lysine degradation
Arginine and proline metabolism
Histidine metabolism
Tryptophan metabolism
beta-Alanine metabolism
Pyruvate metabolism
Biosynthesis of antibioticshsa00052:Galactose metabolism
Starch and sucrose metabolism
Carbohydrate digestion and absorptionhsa00900:Terpenoid backbone biosynthesis
AMPK signaling pathway
Bile secretionhsa00270:Cysteine and methionine metabolism
Metabolic pathwayshsa00230:Purine metabolism
Drug metabolism - other enzymes
Metabolic pathwayshsa00040:Pentose and glucuronate interconversions
Fructose and mannose metabolism
Metabolic pathwayshsa00052:Galactose metabolism
Amino sugar and nucleotide sugar metabolism
NetPath Pathway FSH Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_17:IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
TSH Signaling PathwayNetPath_23:TSH Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesisP00014:Cholesterol biosynthesisP02734:Chorismate biosynthesisP02738:De novo purine biosynthesisP02744:Fructose galactose metabolism
PathWhiz Pathway Bile Acid BiosynthesisPW000045:Androgen and Estrogen MetabolismPW000158:Porphyrin MetabolismPW000011:Beta-Alanine Metabolism
Ethanol Degradation
Histidine Metabolism
Valine, Leucine and Isoleucine Degradation
Pyruvate Metabolism
Oxidation of Branched Chain Fatty Acids
Glycine and Serine Metabolism
Tryptophan MetabolismPW000150:Starch and Sucrose MetabolismPW000050:Steroid BiosynthesisPW000007:Selenoamino Acid Metabolism
Betaine Metabolism
Methionine MetabolismPW000025:Fructose and Mannose DegradationPW000031:Nucleotide Sugars Metabolism
Galactose Metabolism
Reactome The canonical retinoid cycle in rods (twilight vision)R-HSA-73817:Purine ribonucleoside monophosphate biosynthesis
WikiPathways Steroid Biosynthesis
alpha-linolenic (omega3) and linoleic (omega6) acid metabolism
Prostate Cancer
Peroxisomal beta-oxidation of tetracosanoyl-CoA
Peroxisomal lipid metabolism
Bile acid and bile salt metabolismWP496:Steroid Biosynthesis
Metabolism of steroid hormones and vitamin D
Prostate CancerWP2762:PTM: gamma carboxylation, hypusine formation and arylsulfatase activationWP702:Metapathway biotransformation
Benzo(a)pyrene metabolismWP465:Tryptophan metabolism
Fatty Acid Omega Oxidation
Phase 1 - Functionalization of compounds
Neurotransmitter Clearance In The Synaptic CleftWP1848:Metabolism of carbohydratesWP430: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 BiosynthesisWP2693:Metabolism of amino acids and derivatives
Trans-sulfuration and one carbon metabolism
One Carbon Metabolism
Trans-sulfuration pathway
Phase II conjugation
Folate MetabolismWP690:Polyol PathwayWP1848:Metabolism of carbohydrates
References
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.