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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL14249
CHEMBL14249
Compound Name ADENOSINE TRIPHOSPHATE
ChEMBL Synonyms Adenosine triphosphate | ADENOSINE TRIPHOSPHATE DISODIUM
Max Phase 0
Trade Names
Molecular Formula C10H16N5O13P3

Additional synonyms for CHEMBL14249 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Nc1ncnc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C ...
Download SMILES
Standard InChI InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17 ...
Download InChI
Standard InChI Key ZKHQWZAMYRWXGA-KQYNXXCUSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL14249

Molecule Features

CHEMBL14249 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ADENOSINE TRIPHOSPHATE
The Cochrane Collaboration ADENOSINE TRIPHOSPHATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL14249. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1293237 Bloom syndrome protein Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000
CHEMBL2664 Adenosylhomocysteinase Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 1.000
CHEMBL2966 Adenosine deaminase Bos taurus 1.000
CHEMBL3740 Poly [ADP-ribose] polymerase-1 Mus musculus 1.000
CHEMBL1910 Adenosine deaminase Homo sapiens 1.000



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2284 Glyceraldehyde-3-phosphate dehydrogenase liver Homo sapiens 1.000
CHEMBL3740 Poly [ADP-ribose] polymerase-1 Mus musculus 1.000
CHEMBL226 Adenosine A1 receptor Homo sapiens 1.000
CHEMBL2304404 Adenosine A1 receptor Cavia porcellus 1.000
CHEMBL3589 Adenosine kinase Homo sapiens 1.000
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 1.000
CHEMBL3360 Adenosine A3 receptor Rattus norvegicus 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL2982 Adenosine kinase Toxoplasma gondii 1.000
CHEMBL256 Adenosine A3 receptor Homo sapiens 1.000
CHEMBL1795117 Histone-lysine N-methyltransferase, H3 lysine-79 specific Homo sapiens 1.000
CHEMBL1997 Equilibrative nucleoside transporter 1 Homo sapiens 1.000
CHEMBL6069 Pantothenate synthetase Mycobacterium tuberculosis 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL2135 P2X purinoceptor 2 Rattus norvegicus 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL5662 2,3-dihydroxybenzoate-AMP ligase Mycobacterium tuberculosis 1.000
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 1.000
CHEMBL318 Adenosine A1 receptor Rattus norvegicus 1.000
CHEMBL302 Adenosine A2a receptor Rattus norvegicus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
507.2 506.9957 -2.53 8 308.55 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
17 7 3 18 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.97 3.82 -3.65 -9.66 2 31 0.18

Structural Alerts

There are 10 structural alerts for CHEMBL14249. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKHQWZAMYRWXGA-KQYNXXCUSA-N
PubChem SID: 144205597 SID: 26514303 SID: 26756664
Wikipedia Adenosine_triphosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL14249



ACToR 10168-83-9
BindingDB 50366480 2
Brenda 91792 96167 3789 12415 92425 4 96166 23575 72085 90940 90970 4781
ChEBI 15422
DrugBank DB00171
DrugCentral 91
eMolecules 1934325
EPA CompTox Dashboard DTXSID6022559
FDA SRS 8L70Q75FXE
Guide to Pharmacology 1713
Human Metabolome Database HMDB0000538
IBM Patent System 9557F0D410C7D598DC999AEB1D404077 8E3A4C98B40040E7DECC7C62BD476A2D 847556D9E47DC6D14BAD2894FE37B050 1A6EF8A2322024A12145BAD94DF1AF96
KEGG Ligand C00002
Metabolights MTBLC15422
Nikkaji J10.680A
PDBe ATP
PharmGKB PA164743471
PubChem 5957
PubChem: Thomson Pharma 14860194 14909131
SureChEMBL SCHEMBL8979
ZINC ZINC000004261765

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZKHQWZAMYRWXGA-KQYNXXCUSA-N spacer
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