Drug Information

Drug General Information
Drug ID
D00IMW
Former ID
DNC002493
Drug Name
Flavin-Adenine Dinucleotide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [468245]
Structure
Download
2D MOL

3D MOL
Formula
C27H33N9O15P2
InChI
InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKey
VWWQXMAJTJZDQX-UYBVJOGSSA-N
CAS Number
CAS 146-14-5
PubChem Compound ID
643975
PubChem Substance ID
3318, 841107, 3156877, 7847073, 7887416, 8143468, 8707226, 15969690, 43765747, 46508543, 53801068, 57408161, 77298806, 85267103, 99222711, 104248828, 109827242, 126523907, 127338355, 127338356, 134974779, 135378188, 137161501, 138566509, 152054698, 160966293, 162180824, 162221750, 164810383, 175266471, 226819172, 252349859
Target and Pathway
Target(s) NRH dehydrogenase [quinone] 2 Target Info Inhibitor [551393]
Nitric-oxide synthase, brain Target Info Inhibitor [551393]
Dihydropyrimidine dehydrogenase [NADP+] Target Info Inhibitor [551393]
Dihydrolipoamide dehydrogenase, mitochondrial Target Info Inhibitor [551393]
UDP-N-acetylenolpyruvylglucosamine reductase Target Info Inhibitor [551393]
Fumarate reductase flavoprotein subunit Target Info Inhibitor [551393]
Xanthine dehydrogenase/oxidase Target Info Inhibitor [551393]
Glutathione reductase, mitochondrial Target Info Inhibitor [551393]
NAD(P)H dehydrogenase [quinone] 1 Target Info Inhibitor [551393]
Trypanothione reductase Target Info Inhibitor [551393]
Amine oxidase [flavin-containing] A Target Info Inhibitor [551393]
Flavohemoglobin Target Info Inhibitor [551393]
Thioredoxin reductase, cytoplasmic Target Info Inhibitor [551393]
Amine oxidase [flavin-containing] B Target Info Inhibitor [551393]
BioCyc Pathway Citrulline-nitric oxide cyclePWY-7209:Pyrimidine ribonucleosides degradation
Thymine degradation
Uracil degradationPWY-6353:Purine nucleotides degradation
Urate biosynthesis/inosine 5'-phosphate degradation
Guanosine nucleotides degradation
Adenosine nucleotides degradation
Retinoate biosynthesis IIPWY66-401:Superpathway of tryptophan utilization
Dopamine degradation
Putrescine degradation III
Noradrenaline and adrenaline degradation
Serotonin degradation
Superpathway of melatonin degradation
Melatonin degradation IIPWY66-401:Superpathway of tryptophan utilization
Tryptophan degradation via tryptamine
KEGG Pathway Arginine and proline metabolism
Metabolic pathways
Calcium signaling pathway
Phagosome
Circadian entrainment
Long-term depression
Salivary secretion
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)hsa00240:Pyrimidine metabolism
beta-Alanine metabolism
Pantothenate and CoA biosynthesis
Drug metabolism - other enzymes
Metabolic pathwayshsa00230:Purine metabolism
Caffeine metabolism
Peroxisomehsa00130:Ubiquinone and other terpenoid-quinone biosynthesishsa00260:Glycine, serine and threonine metabolism
Histidine metabolism
Tyrosine metabolism
Phenylalanine metabolism
Tryptophan metabolism
Drug metabolism - cytochrome P450
Serotonergic synapse
Dopaminergic synapse
Cocaine addiction
Amphetamine addiction
Alcoholismhsa00260:Glycine, serine and threonine metabolism
Alcoholism
NetPath Pathway EGFR1 Signaling PathwayNetPath_11:TCR Signaling PathwayNetPath_16:IL4 Signaling Pathway
PANTHER Pathway CCKR signaling map STP02771:Pyrimidine MetabolismP02723:Adenine and hypoxanthine salvage pathway
Purine metabolismP00001:Adrenaline and noradrenaline biosynthesis
5-Hydroxytryptamine degredation
Dopamine receptor mediated signaling pathwayP00001:Adrenaline and noradrenaline biosynthesis
Dopamine receptor mediated signaling pathway
Pathway Interaction Database Validated transcriptional targets of TAp63 isoformsalphasynuclein_pathway:Alpha-synuclein signaling
PathWhiz Pathway Arginine and Proline MetabolismPW000011:Beta-Alanine Metabolism
Pyrimidine MetabolismPW000015:Caffeine Metabolism
Purine MetabolismPW000047:Vitamin K MetabolismPW000043:Histidine Metabolism
Tyrosine Metabolism
Glycine and Serine Metabolism
Reactome ROS production in response to bacteria
Nitric oxide stimulates guanylate cyclaseR-HSA-74259:Purine catabolismR-HSA-181430:Norepinephrine Neurotransmitter Release Cycle
WikiPathways 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 ActivityWP1851:Metabolism of nucleotides
Fluoropyrimidine ActivityWP408:Oxidative Stress
Metabolism of nucleotides
Selenium Micronutrient NetworkWP697:Estrogen metabolism
Oxidative Stress
Transcriptional activation by NRF2
NRF2 pathway
Nuclear Receptors Meta-Pathway
Aryl Hydrocarbon Receptor Pathway
Apoptosis-related network due to altered Notch3 in ovarian cancer
Metabolism of amino acids and derivatives
Aryl Hydrocarbon Receptor
Dopamine metabolism
Arylhydrocarbon receptor (AhR) signaling pathwayWP706:SIDS Susceptibility Pathways
Biogenic Amine Synthesis
Phase 1 - Functionalization of compounds
Neurotransmitter Release Cycle
Neurotransmitter Clearance In The Synaptic Cleft
Serotonin Transporter ActivityWP465:Tryptophan metabolism
References
Ref 468245(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: 5184).
Ref 551393How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

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