adenosine triphosphate indications/contra

Stem definitionDrug idCAS RN
91 56-65-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • adenosine triphosphate
  • ATP
  • triphosphoric acid adenosine ester
  • adenosine triphosphate disodium hydrate
An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.
  • Molecular weight: 507.18
  • Formula: C10H16N5O13P3
  • CLOGP: -4.55
  • LIPINSKI: 3
  • HAC: 18
  • HDO: 7
  • TPSA: 279.13
  • ALOGS: -2.05
  • ROTB: 8

Drug dosage:

None

Approvals:

None

FDA Adverse Event Reporting System

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MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Acute myocardial infarction 36.84 0 6 6 12245 3373602

Pharmacologic Action:

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SourceCodeDescription
CHEBI has role CHEBI:50733 nutraceutical

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 -1.04 acidic
pKa2 1.0 acidic
pKa3 3.35 acidic
pKa4 6.05 acidic
pKa5 11.94 acidic
pKa6 13.04 acidic
pKa7 3.95 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
P2X purinoceptor 1 Ion channel AGONIST EC50 7.25 IUPHAR
P2X purinoceptor 4 Ion channel AGONIST EC50 6.30 IUPHAR
P2Y purinoceptor 2 GPCR AGONIST EC50 7.10 IUPHAR
P2Y purinoceptor 13 GPCR AGONIST IC50 5.40 IUPHAR
Transient receptor potential cation channel subfamily M member 4 Ion channel BLOCKER IC50 5.80 IUPHAR
P2X purinoceptor 3 Ion channel Ki 7.84 PDSP
Uracil nucleotide/cysteinyl leukotriene receptor GPCR AGONIST EC50 7.43 IUPHAR
Heat shock protein 75 kDa, mitochondrial Unclassified IC50 4.50 CHEMBL
P2Y purinoceptor 11 GPCR EC50 5.17 CHEMBL
MAP kinase-activated protein kinase 2 Kinase IC50 5.55 CHEMBL
P2Y purinoceptor 4 GPCR Ki 6.20 CHEMBL
P2Y purinoceptor 1 GPCR EC50 6.07 CHEMBL
Heat shock cognate 71 kDa protein Unclassified IC50 4.76 CHEMBL
Heat shock 70 kDa protein 1A Unclassified IC50 5.47 CHEMBL
P2X purinoceptor 2 Unclassified AGONIST EC50 5.85 IUPHAR
P2X purinoceptor 5 Unclassified AGONIST EC50 6 IUPHAR
P2X purinoceptor 6 Unclassified AGONIST EC50 6 IUPHAR
Transient receptor potential cation channel subfamily M member 4 Unclassified BLOCKER IC50 6.10 IUPHAR
P2X purinoceptor 4 Unclassified AGONIST EC50 6 IUPHAR
P2Y purinoceptor 1 GPCR EC50 5.55 CHEMBL
Endoplasmin Membrane other IC50 5.49 CHEMBL
Adenylate kinase 2 Unclassified Ki 4.05 CHEMBL
P2Y purinoceptor 4 Unclassified AGONIST EC50 6.30 IUPHAR

External reference:

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IDSource
DB00171 DRUGBANK_ID
4029344 VUID
N0000180300 NUI
C0001480 UMLSCUI
1713 IUPHAR_LIGAND_ID
D02300 KEGG_DRUG
CHEMBL14249 ChEMBL_ID
4029344 VANDF
N0000180300 NDFRT
N0000170830 NDFRT
004233 NDDF
318 RXNORM
8L70Q75FXE UNII
5957 PUBCHEM_CID
DB00640 DRUGBANK_ID
D000255 MESH_DESCRIPTOR_UI
CHEBI:15422 CHEBI

Pharmaceutical products:

None