ADENOSINE PHOSPHATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 415SHH325A

Structure
InChI Key UDMBCSSLTHHNCD-KQYNXXCUSA-N
Smile Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChI
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N5O7P
Molecular Weight 347.22
AlogP -1.86
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 186.07
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 19200-41000
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
1519-70300 - 150 - -
Enzyme Kinase Protein Kinase TKL protein kinase group TKL protein kinase MLK family TKL protein kinase TAK1 subfamily
- - 120000-370000 - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 100 - - -
Enzyme Kinase Protein kinase regulatory subunit
1519-70300 - 150 - -
Enzyme Kinase
1519-70300 100 120000-370000 - -
Enzyme Oxidoreductase
- - 650000 38000 -
Enzyme Phosphatase
- 140-9800 - - -
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- - 1.13 0.23 -
Enzyme Transferase
- 1800000000000 - 580000 11.47
Ion channel Voltage-gated ion channel Transient receptor potential channel
- 70000-70000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
500 - - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Purine receptor
1500-7200 - - - -
Membrane receptor Family C G protein-coupled receptor Taste receptor (family C GPCR)
11000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 90.72

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ischemia 1 D007511 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 16027
ChEMBL CHEMBL752
DrugBank DB00131
DrugCentral 92
EPA CompTox DTXSID5022560
FDA SRS 415SHH325A
Human Metabolome Database HMDB0000045
Guide to Pharmacology 2455
KEGG C00020
PDB A
PharmGKB PA164744376
PubChem 6083
SureChEMBL SCHEMBL18287224
ZINC ZINC000003860156
CONTENTS