adenosine triphosphate Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

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

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000700 Analgesics
MeSH PA D000889 Anti-Arrhythmia Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D002491 Central Nervous System Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018373 Peripheral Nervous System Agents
MeSH PA D058913 Purinergic Agonists
MeSH PA D058906 Purinergic P1 Receptor Agonists
MeSH PA D018689 Sensory System Agents
MeSH PA D014665 Vasodilator Agents
CHEBI has role CHEBI:23357 cofactor
CHEBI has role CHEBI:27027 trace elements
CHEBI has role CHEBI:50733 Nutritional supplement
CHEBI has role CHEBI:78675 essential metabolite
FDA MoA N0000175788 Adenosine Receptor Agonists
FDA EPC N0000178375 Adenosine Receptor Agonist
CHEBI has role CHEBI:35620 vasodilator
CHEBI has role CHEBI:38070 antiarrhythmic agent
CHEBI has role CHEBI:77746 H. sapiens metabolites

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Supraventricular arrhythmia indication 72654001

Acid dissociation constants calculated using MoKa v3.0.0

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

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
P2X purinoceptor 1 Ion channel AGONIST EC50 7.25 IUPHAR
P2Y purinoceptor 4 GPCR Ki 6.20 CHEMBL
Tyrosine-protein kinase JAK2 Kinase Kd 5.89 CHEMBL
P2Y purinoceptor 1 GPCR EC50 6.07 CHEMBL
P2Y purinoceptor 2 GPCR AGONIST EC50 7.10 IUPHAR
P2Y purinoceptor 11 GPCR EC50 5.17 CHEMBL
Transient receptor potential cation channel subfamily M member 4 Ion channel BLOCKER IC50 5.80 IUPHAR
P2Y purinoceptor 13 GPCR AGONIST IC50 5.40 IUPHAR
MAP kinase-activated protein kinase 2 Kinase IC50 5.55 CHEMBL
Mitogen-activated protein kinase kinase kinase 7 Kinase Kd 5.55 CHEMBL
P2X purinoceptor 4 Ion channel AGONIST EC50 6.30 IUPHAR
Uracil nucleotide/cysteinyl leukotriene receptor GPCR AGONIST EC50 7.43 IUPHAR
P2X purinoceptor 3 Ion channel Ki 7.84 PDSP
Heat shock protein 75 kDa, mitochondrial Unclassified IC50 4.50 CHEMBL
Heat shock cognate 71 kDa protein Unclassified IC50 4.76 CHEMBL
Heat shock 70 kDa protein 1A Unclassified IC50 5.47 CHEMBL
P2Y purinoceptor 1 GPCR EC50 5.55 CHEMBL
Endoplasmin Membrane other IC50 5.49 CHEMBL
Adenylate kinase 2 Kinase Ki 4.05 CHEMBL
Transient receptor potential cation channel subfamily M member 4 Ion channel BLOCKER IC50 6.10 IUPHAR
P2X purinoceptor 2 Ion channel AGONIST EC50 5.85 IUPHAR
P2X purinoceptor 4 Ion channel AGONIST EC50 6 IUPHAR
P2Y purinoceptor 4 GPCR AGONIST EC50 6.30 IUPHAR
P2X purinoceptor 4 Ion channel AGONIST EC50 5.30 IUPHAR
P2X purinoceptor 6 Ion channel AGONIST EC50 6 IUPHAR
P2X purinoceptor 5 Ion channel AGONIST EC50 6 IUPHAR

External reference:

IDSource
4029344 VUID
N0000180300 NUI
D02300 KEGG_DRUG
296 RXNORM
C0001480 UMLSCUI
CHEBI:15422 CHEBI
CHEBI:16335 CHEBI
ADN PDB_CHEM_ID
CHEMBL14249 ChEMBL_ID
D000255 MESH_DESCRIPTOR_UI
DB00171 DRUGBANK_ID
1713 IUPHAR_LIGAND_ID
8L70Q75FXE UNII
5957 PUBCHEM_CID
60961 PUBCHEM_CID
DB00640 DRUGBANK_ID
4135 MMSL
57772 MMSL
d00164 MMSL
D000241 MESH_DESCRIPTOR_UI
003603 NDDF
004233 NDDF
004537 NDDF
004813 NDDF
108502004 SNOMEDCT_US
35431001 SNOMEDCT_US
76711004 SNOMEDCT_US
4019507 VANDF
4029344 VANDF
C0001443 UMLSCUI

Pharmaceutical products:

None