Drug Information

Drug General Information
Drug ID
D0J2FY
Former ID
DNC002437
Drug Name
2'-Monophosphoadenosine 5'-Diphosphoribose
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551393]
Structure
Download
2D MOL

3D MOL
Formula
C21H28N7O17P3
Canonical SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C<br />(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O)C(=O)N
InChI
1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey
XJLXINKUBYWONI-NNYOXOHSSA-N
PubChem Compound ID
5885
PubChem Substance ID
841529, 7889289, 8153640, 14766662, 14791007, 26697149, 29224912, 50033279, 50070611, 53787869, 57323018, 78330052, 92298079, 104234180, 104310524, 126678557, 134971348, 137239483, 162180455, 162222904, 164848841, 184579695, 223672708, 226399178, 241093250, 250133625
Target and Pathway
Target(s) Dihydrofolate reductase Target Info Inhibitor [551393]
Aspartate-semialdehydedehydrogenase Target Info Inhibitor [551393]
Aldo-keto reductase family 1 member C3 Target Info Inhibitor [551393]
Aldose reductase Target Info Inhibitor [551393]
Glucose-6-phosphate dehydrogenase Target Info Inhibitor [551393]
Corticosteroid 11-beta-dehydrogenase, isozyme 1 Target Info Inhibitor [551393]
3-hydroxy-3-methylglutaryl-coenzyme A reductase Target Info Inhibitor [551393]
Alcohol dehydrogenase Target Info Inhibitor [551393]
Nitric-oxide synthase, brain Target Info Inhibitor [551393]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [551393]
BioCyc Pathway Superpathway of steroid hormone biosynthesis
Allopregnanolone biosynthesis
Androgen biosynthesisPWY-5453:Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)PENTOSE-P-PWY:Pentose phosphate pathway
Pentose phosphate pathway (oxidative branch)PWY-5910:Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
Superpathway of cholesterol biosynthesis
Mevalonate pathwayPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptaminePWY-4983:Citrulline-nitric oxide cyclePWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Steroid hormone biosynthesis
Arachidonic acid metabolism
Metabolic pathways
Ovarian steroidogenesishsa00040:Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathwayshsa00030:Pentose phosphate pathway
Glutathione metabolism
Biosynthesis of antibiotics
Carbon metabolism
Central carbon metabolism in cancerhsa00140:Steroid hormone biosynthesis
Metabolism of xenobiotics by cytochrome P450
Chemical carcinogenesishsa00900:Terpenoid backbone biosynthesis
AMPK signaling pathway
Bile secretionhsa00010:Glycolysis / Gluconeogenesis
Pentose and glucuronate interconversions
Degradation of aromatic compoundshsa00330:Arginine and proline metabolism
Calcium signaling pathway
Phagosome
Circadian entrainment
Long-term depression
Salivary secretion
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)hsa00140:Steroid hormone biosynthesis
Ovarian steroidogenesis
NetPath Pathway TGF_beta_Receptor Signaling PathwayNetPath_13:IL1 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_13:IL1 Signaling Pathway
FSH Signaling PathwayNetPath_17:IL5 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
TSH Signaling PathwayNetPath_4:EGFR1 Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Cholesterol biosynthesisP06959:CCKR signaling map STP02727:Androgen/estrogene/progesterone biosynthesis
PathWhiz Pathway Folate Metabolism
Pterine BiosynthesisPW000044:Arachidonic Acid MetabolismPW000025:Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose MetabolismPW000055:Pentose Phosphate Pathway
Warburg EffectPW000141:SteroidogenesisPW000050:Steroid BiosynthesisPW000010:Arginine and Proline MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome E2F mediated regulation of DNA replication
Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
Metabolism of folate and pterines
G1/S-Specific TranscriptionR-HSA-975634:Retinoid metabolism and transportR-HSA-5628897:TP53 Regulates Metabolic GenesR-HSA-194002:Glucocorticoid biosynthesisR-HSA-1222556:ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclaseR-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
WikiPathways Metapathway biotransformation
Benzo(a)pyrene metabolism
Arachidonic acid metabolismWP702:Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin DWP692:Sulfation Biotransformation Reaction
NRF2 pathway
Nuclear Receptors Meta-Pathway
Vitamin D Receptor Pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in leukocytes - TarBase
miR-targeted genes in epithelium - TarBase
Cori Cycle
Metabolism of carbohydrates
Pentose Phosphate Pathway
Glutathione metabolismWP98:Prostaglandin Synthesis and Regulation
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid MetabolismWP430: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 BiosynthesisWP702:Metapathway biotransformation
Benzo(a)pyrene metabolismWP727:Monoamine Transport
Myometrial Relaxation and Contraction Pathways
Amyotrophic lateral sclerosis (ALS)
Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis
Spinal Cord Injury
Alzheimers Disease
Effects of Nitric Oxide
Serotonin Transporter ActivityWP496:Steroid Biosynthesis
Prostate Cancer
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.

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