adenosine phosphate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
92 61-19-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • adenosine phosphate
  • adenosine 5'-phosphate
  • adenovite
  • 5'-Adenylic acid
  • adenylic acid
  • phosphentaside
  • adenosine 5'-monophosphate
  • AMP
  • adenosine monophosphate
Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.
  • Molecular weight: 347.22
  • Formula: C10H14N5O7P
  • CLOGP: -3.28
  • LIPINSKI: 1
  • HAC: 12
  • HDO: 5
  • TPSA: 186.07
  • ALOGS: -2.02
  • ROTB: 4
  • Status: OFP
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
S (Water solubility) 2.67 mg/mL Bocci G, Oprea TI, Benet LZ

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -2.335 High 0.85
caco2-efflux Caco-2 efflux ratio (BA/AB) 4.539 High 0.85
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.109 10^-6 cm/s High 0.85
dh-clint Dog hepatocyte intrinsic clearance 7.674 uL/min/10^6 cells High 0.85
dppb Dog plasma protein binding (% unbound) 47.930 % High 0.85
fcs-ppb Fetal calf serum protein binding (% unbound) 18.780 % High 0.85
herg hERG pIC50 4.333 pIC50 High 0.85
hh-clint Human hepatocyte intrinsic clearance 3.041 uL/min/10^6 cells High 0.85
hlm-clint Human liver microsomal intrinsic clearance 3.681 uL/min/mg protein High 0.85
hppb Human plasma protein binding (% unbound) 38.030 % High 0.85
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PIK3CD,PRKCD,PRKDC,SIK2,SIK3,STK33,TEK 31
kinase-selectivity-class AURKA,AXL,BRAF,CDK9,ERBB2,GRK2,MAP2K6,MAP3K21,MAPK7,PIK3CD,PRKDC,SYK,TEK 13
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.290 High 0.85
mh-clint Mouse hepatocyte intrinsic clearance 56.494 High 0.85
mppb Mouse plasma protein binding (% unbound) 82.080 High 0.85
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.365 High 0.85
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 29.420 % High 0.85
rh-clint Rat hepatocyte intrinsic clearance 25.410 uL/min/10^6 cells High 0.85
rh-fuinc Rat hepatocyte fraction unbound in incubation 91.500 % High 0.85
rppb Rat plasma protein binding (% unbound) 62.940 % High 0.85
solubility-dd Solubility at pH 7.4 in DMSO 839.460 uM High 0.85

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000700 Analgesics
MeSH PA D000889 Anti-Arrhythmia Agents
MeSH PA D002317 Cardiovascular Agents
MeSH PA D014665 Vasodilator Agents
MeSH PA D018377 Neurotransmitter Agents
MeSH PA D018689 Sensory System Agents
MeSH PA D058906 Purinergic P1 Receptor Agonists
FDA MoA N0000175788 Adenosine Receptor Agonists
FDA EPC N0000178375 Adenosine Receptor Agonist
CHEBI has role CHEBI:23357 cofactor
CHEBI has role CHEBI:27027 micronutrient
CHEBI has role CHEBI:50733 nutraceutical
CHEBI has role CHEBI:63332 EC 3.1.3.1 (alkaline phosphatase) inhibitor
CHEBI has role CHEBI:65056 EC 3.1.3.11 (fructose-bisphosphatase) inhibitor
CHEBI has role CHEBI:65057 adenosine A<small><sub>1</sub></small> receptor agonist
CHEBI has role CHEBI:78675 fundamental metabolite
CHEBI has role CHEBI:35480 analgesic
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35620 vasodilator agent
CHEBI has role CHEBI:38070 anti-arrhythmia drug
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:77746 human metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Cystic fibrosis of the lung indication 86555001
Bronchiectasis contraindication 12295008 DOID:9563




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 1.31 acidic
pKa2 6.36 acidic
pKa3 12.46 acidic
pKa4 13.04 acidic
pKa5 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
Fructose-1,6-bisphosphatase 1 Enzyme IC50 6.85 CHEMBL
Proto-oncogene tyrosine-protein kinase Src Kinase IC50 7 CHEMBL
Transient receptor potential cation channel subfamily M member 2 Ion channel IC50 4.15 CHEMBL
Transient receptor potential cation channel subfamily M member 4 Ion channel GATING INHIBITOR IC50 4.70 IUPHAR
L-lactate dehydrogenase A chain Enzyme Kd 3.19 CHEMBL
2'-deoxynucleoside 5'-phosphate N-hydrolase 1 Enzyme Ki 4.72 CHEMBL
Fructose-1,6-bisphosphatase 1 Enzyme IC50 5.89 CHEMBL
Pol polyprotein Enzyme Ki 9.64 CHEMBL
Alcohol dehydrogenase Enzyme Ki 4.42 CHEMBL
Ketopantoate reductase Enzyme Ki 2.20 CHEMBL
Adenylate kinase 2 Kinase Ki 4.10 CHEMBL
2'-deoxynucleoside 5'-phosphate N-hydrolase 1 Enzyme Ki 4.40 CHEMBL

External reference:

IDSource
415SHH325A UNII
4018975 VUID
N0000170817 NUI
D02769 KEGG_DRUG
296 RXNORM
C0001465 UMLSCUI
CHEBI:16027 CHEBI
A PDB_CHEM_ID
ADN PDB_CHEM_ID
CHEMBL752 ChEMBL_ID
6083 PUBCHEM_CID
DB00131 DRUGBANK_ID
335 INN_ID
1085 MMSL
4135 MMSL
4136 MMSL
4137 MMSL
57772 MMSL
NOCODE MMSL
d00164 MMSL
D000249 MESH_DESCRIPTOR_UI
C0001443 UMLSCUI
DB00640 DRUGBANK_ID
2455 IUPHAR_LIGAND_ID
60961 PUBCHEM_CID
4018975 VANDF
4019507 VANDF
D000241 MESH_DESCRIPTOR_UI
002392 NDDF
003603 NDDF
004537 NDDF
004813 NDDF
108502004 SNOMEDCT_US
35431001 SNOMEDCT_US
4864008 SNOMEDCT_US
54941006 SNOMEDCT_US
CHEBI:16335 CHEBI
415SHH325A INXIGHT DRUGS

Pharmaceutical products:

None