TTD | Drug: D04QOU

Drug General Information
Drug ID	D04QOU
Former ID	DNC002456
Drug Name	Adenosine-5'-Diphosphate
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[551391]
Formula	C10H14N5NaO10P2
Canonical SMILES	C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)[<br />O-])O.[Na+]
InChI	1S/C10H14N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q-1;+1/t4-,6-,7-,10-;/m1./s1
InChIKey	LYSWXRSUQLGBIC-MCDZGGTQSA-N
CAS Number	CAS 20398-34-9
PubChem Compound ID	45109812
PubChem Substance ID	92298374
Target and Pathway
Target(s)	Glycogen synthase kinase-3 beta	Target Info	Inhibitor	[551391]
	73-kDa molecular chaperone HSP73	Target Info	Inhibitor	[551391]
	Phosphopantetheine adenylyltransferase	Target Info	Inhibitor	[551391]
	3-hydroxy-3-methylglutaryl-coenzyme A reductase	Target Info	Inhibitor	[551391]
	Aurora kinase A	Target Info	Inhibitor	[551391]
	Pyridoxal kinase	Target Info	Inhibitor	[551391]
	Mast/stem cell growth factor receptor	Target Info	Inhibitor	[551391]
	Pantothenate kinase	Target Info	Inhibitor	[551391]
	Glutamate--cysteine ligase regulatorysubunit	Target Info	Inhibitor	[551391]
	Kinesin-like protein KIF11	Target Info	Inhibitor	[551391]
	Thymidine monophosphate kinase	Target Info	Inhibitor	[551391]
	D-alanine--D-alanine ligase	Target Info	Inhibitor	[551391]
	Heat shock protein HSP 90	Target Info	Inhibitor	[551391]
	2-amino-4-hydroxy-6- hydroxymethyldihydropteridine pyrophosphokinase	Target Info	Inhibitor	[551391]
	Thymidine kinase	Target Info	Inhibitor	[551391]
BioCyc Pathway	Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate)
	Superpathway of cholesterol biosynthesis
	Mevalonate pathwayPLPSAL-PWY:Pyridoxal 5'-phosphate salvage
KEGG Pathway	ErbB signaling pathway
	Chemokine signaling pathway
	Cell cycle
	PI3K-Akt signaling pathway
	Wnt signaling pathway
	Hedgehog signaling pathway
	Axon guidance
	Hippo signaling pathway
	Focal adhesion
	Signaling pathways regulating pluripotency of stem cells
	T cell receptor signaling pathway
	B cell receptor signaling pathway
	Neurotrophin signaling pathway
	Dopaminergic synapse
	Insulin signaling pathway
	Melanogenesis
	Prolactin signaling pathway
	Thyroid hormone signaling pathway
	Non-alcoholic fatty liver disease (NAFLD)
	Alzheimer's disease
	Hepatitis C
	Measles
	Influenza A
	HTLV-I infection
	Epstein-Barr virus infection
	Pathways in cancer
	Colorectal cancer
	Endometrial cancer
	Prostate cancer
	Basal cell carcinomahsa03040:Spliceosome
	MAPK signaling pathway
	Protein processing in endoplasmic reticulum
	Endocytosis
	Antigen processing and presentation
	Estrogen signaling pathway
	Legionellosis
	Toxoplasmosis
	Epstein-Barr virus infectionhsa00770:Pantothenate and CoA biosynthesis
	Metabolic pathwayshsa00900:Terpenoid backbone biosynthesis
	Metabolic pathways
	Biosynthesis of antibiotics
	AMPK signaling pathway
	Bile secretionhsa04114:Oocyte meiosishsa00750:Vitamin B6 metabolism
	Metabolic pathwayshsa04014:Ras signaling pathway
	Rap1 signaling pathway
	Cytokine-cytokine receptor interaction
	Hematopoietic cell lineage
	Acute myeloid leukemia
	Central carbon metabolism in cancerhsa00480:Glutathione metabolism
	Metabolic pathwaysmtu00240:Pyrimidine metabolism
	Metabolic pathwaysmtc00473:D-Alanine metabolism
	Peptidoglycan biosynthesis
	Metabolic pathways
	Vancomycin resistancehsa04141:Protein processing in endoplasmic reticulum
	NOD-like receptor signaling pathway
	Progesterone-mediated oocyte maturation
NetPath Pathway	TCR Signaling Pathway
	TSH Signaling Pathway
	IL4 Signaling PathwayNetPath_17:IL5 Signaling Pathway
	TGF_beta_Receptor Signaling Pathway
	TSH Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_15:IL3 Signaling Pathway
	IL4 Signaling Pathway
	KitReceptor Signaling PathwayNetPath_14:IL2 Signaling Pathway
PANTHER Pathway	Alzheimer disease-presenilin pathway
	Angiogenesis
	Cadherin signaling pathway
	Hedgehog signaling pathway
	Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
	Insulin/IGF pathway-protein kinase B signaling cascade
	Interleukin signaling pathway
	PDGF signaling pathway
	PI3 kinase pathway
	Wnt signaling pathway
	Ras Pathway
	CCKR signaling map STP00006:Apoptosis signaling pathway
	Parkinson diseaseP00014:Cholesterol biosynthesisP02770:Pyridoxal phosphate salvage pathway
	Vitamin B6 metabolism
Pathway Interaction Database	LPA receptor mediated events
	Degradation of beta catenin
	Reelin signaling pathway
	Presenilin action in Notch and Wnt signaling
	Integrin-linked kinase signaling
	CDC42 signaling events
	LKB1 signaling events
	Canonical Wnt signaling pathway
	Role of Calcineurin-dependent NFAT signaling in lymphocytes
	Glucocorticoid receptor regulatory network
	C-MYC pathway
	Regulation of Androgen receptor activity
	BMP receptor signaling
	Hedgehog signaling events mediated by Gli proteins
	Signaling events mediated by Stem cell factor receptor (c-Kit)
	Validated transcriptional targets of deltaNp63 isoforms
	Aurora A signaling
	Insulin-mediated glucose transport
	Class I PI3K signaling events mediated by Akt
	p53 pathway
	Trk receptor signaling mediated by PI3K and PLC-gammasmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
	C-MYB transcription factor networkaurora_b_pathway:Aurora B signaling
	Signaling by Aurora kinases
	PLK1 signaling events
	Aurora A signalingcmyb_pathway:C-MYB transcription factor network
	Signaling events mediated by Stem cell factor receptor (c-Kit)hdac_classii_pathway:Signaling events mediated by HDAC Class II
	Validated targets of C-MYC transcriptional activation
	Regulation of Telomerase
	Class I PI3K signaling events
	IL2 signaling events mediated by PI3K
	Integrins in angiogenesis
	Hypoxic and oxygen homeostasis regulation of HIF-1-alpha
	ErbB receptor signaling network
	VEGFR1 specific signals
	Signaling events mediated by VEGFR1 and VEGFR2
PathWhiz Pathway	Steroid BiosynthesisPW000053:Vitamin B6 MetabolismPW000003:Glutamate Metabolism
	Glutathione Metabolism
	Cysteine Metabolism
Reactome	Degradation of beta-catenin by the destruction complex
	AKT phosphorylates targets in the cytosol
	Regulation of HSF1-mediated heat shock response
	CRMPs in Sema3A signaling
	Disassembly of the destruction complex and recruitment of AXIN to the membrane
	S33 mutants of beta-catenin aren't phosphorylated
	S37 mutants of beta-catenin aren't phosphorylated
	S45 mutants of beta-catenin aren't phosphorylated
	T41 mutants of beta-catenin aren't phosphorylated
	Degradation of GLI2 by the proteasome
	Constitutive Signaling by AKT1 E17K in CancerR-HSA-3371453:Regulation of HSF1-mediated heat shock response
	Attenuation phase
	HSF1-dependent transactivation
	Lysosome Vesicle Biogenesis
	Golgi Associated Vesicle Biogenesis
	CHL1 interactions
	mRNA Splicing - Major PathwayR-HSA-174178:APC/C:Cdh1 mediated degradation of Cdc20 and other APC/C:Cdh1 targeted proteins in late mitosis/early G1
	Regulation of PLK1 Activity at G2/M TransitionR-HSA-1257604:PIP3 activates AKT signaling
	Regulation of KIT signaling
	Constitutive Signaling by Aberrant PI3K in Cancer
	RAF/MAP kinase cascadeR-HSA-2132295:MHC class II antigen presentation
	KinesinsR-HSA-1236382:Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants
	Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation
	Regulation of actin dynamics for phagocytic cup formation
	eNOS activation
	Regulation of PLK1 Activity at G2/M Transition
	Loss of Nlp from mitotic centrosomes
	Recruitment of mitotic centrosome proteins and complexes
	Loss of proteins required for interphase microtubule organization?from the centrosome
	EPHA-mediated growth cone collapse
	VEGFA-VEGFR2 Pathway
	VEGFR2 mediated vascular permeability
	Anchoring of the basal body to the plasma membrane
	Constitutive Signaling by EGFRvIII
WikiPathways	DNA Damage Response (only ATM dependent)
	Senescence and Autophagy in Cancer
	Notch Signaling Pathway
	Glycogen Metabolism
	Insulin Signaling
	Wnt Signaling Pathway
	Wnt Signaling Pathway and Pluripotency
	IL-6 signaling pathway
	Wnt Signaling Pathway Netpath
	Copper homeostasis
	Focal Adhesion
	Hair Follicle Development: Induction (Part 1 of 3)
	Cardiac Hypertrophic Response
	Degradation of beta-catenin by the destruction complex
	T-Cell Receptor and Co-stimulatory Signaling
	Cardiac Progenitor Differentiation
	BDNF signaling pathway
	Corticotropin-releasing hormone
	B Cell Receptor Signaling Pathway
	IL17 signaling pathway
	Neural Crest Differentiation
	Alzheimers Disease
	IL-7 Signaling Pathway
	Regulation of Microtubule Cytoskeleton
	TWEAK Signaling Pathway
	Leptin signaling pathway
	Semaphorin interactions
	Cell Cycle
	MicroRNAs in cardiomyocyte hypertrophy
	Androgen receptor signaling pathway
	IL-5 Signaling PathwayWP410:Diurnally Regulated Genes with Circadian Orthologs
	MAPK Signaling Pathway
	Regulation of mRNA Stability by Proteins that Bind AU-rich Elements
	GABA synthesis, release, reuptake and degradation
	Parkin-Ubiquitin Proteasomal System pathway
	Membrane Trafficking
	L1CAM interactionsWP1857:Metabolism of water-soluble vitamins and cofactorsWP430: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 BiosynthesisWP437:EGF/EGFR Signaling Pathway
	JAK/STAT
	Gastric Cancer Network 1
	APC/C-mediated degradation of cell cycle proteinsWP1857:Metabolism of water-soluble vitamins and cofactorsWP304:Kit receptor signaling pathway
	Differentiation Pathway
	Signaling by SCF-KIT
	PIP3 activates AKT signaling
	miR-targeted genes in muscle cell - TarBase
	miR-targeted genes in lymphocytes - TarBase
	miR-targeted genes in epithelium - TarBaseWP3:Transcriptional activation by NRF2
	NRF2 pathway
	Nuclear Receptors Meta-Pathway
	Metabolism of amino acids and derivatives
	Trans-sulfuration and one carbon metabolism
	Trans-sulfuration pathway
	Phase II conjugation
	Glutathione metabolismWP2679:MHC class II antigen presentation
	KinesinsWP2884:NRF2 pathway
	Aryl Hydrocarbon Receptor Pathway
	Binding and Uptake of Ligands by Scavenger Receptors
	Signaling by ERBB2
	Fcgamma receptor (FCGR) dependent phagocytosis
Influenza Life Cycle
EBV LMP1 signaling
Aryl Hydrocarbon Receptor
TNF alpha Signaling Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
Signaling by EGFR
Mitotic G2-G2/M phases
Metabolism of nitric oxide
NOD pathway
References
Ref 551391	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January
Ref 551391	DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-4. Nucleic Acids Res. 2011 January

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Drug Information