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Compound InformationSONAR Target prediction
Name:

Adenosine 5`-monophosphate monohydrate

Unique Identifier:Prest546
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H16N5O8P
Molecular Weight:349.11 g/mol
X log p:1.065  (online calculus)
Lipinksi Failures1
TPSA85.66
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:12
Rotatable Bond Count:4
Canonical Smiles:O.Nc1ncnc2n(cnc12)C1OC(COP(O)(O)=O)C(O)C1O
Generic_name:Adenosine-5--Monophosphate
Chemical_iupac_name:[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
Drug_type:Experimental
Kegg_compound_id:C00020
Drugbank_id:EXPT00362
Melting_point:183-188 oC
H2o_solubility:Soluble
Logp:-1.6
Cas_registry_number:61-19-8
Drug_category:Dietary supplement; Micronutrient
Indication:For nutritional supplementation, also for treating dietary shortage or imbalance
Pharmacology:Adenosine monophosphate, also known as 5--adenylic acid and abbreviated AMP, is a
nucleotide that is found in RNA. It is an ester of phosphoric acid with the
nucleoside adenosine. AMP consists of the phosphate group, the pentose sugar ribose,
and the nucleobase adenine. AMP is used as a dietary supplement to boost immune
activity, and is also used as a substitute sweetener to aid in the maintenance of a
low-calorie diet.
Mechanism_of_action:Nucleotides such as Adenosine-5--Monophosphate affect a number of immune functions,
including the reversal of malnutrition and starvation-induced immunosuppression, the
enhancement of T-cell maturation and function, the enhancement of natural killer
cell activity, the improvement of delayed cutaneous hypersensitivity, helping
resistance to such infectious agents as Staphylococcus aureus and Candida albicans,
and finally the modulation of T-cell responses toward type 1 CD4 helper lymphocytes
or Th1 cells. Studies have shown that mice fed a nucleotide-free diet have both
impaired humoral and cellular immune responses. The addition of dietary nucleotides
normalizes both types of responses. RNA, a delivery form of nucleotides, and
ribonucleotides were used in these studies. The mechanism of the immune-enhancing
activity of nucleic acids/nucleotides is not clear.
Organisms_affected:Humans and other mammals

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 17539.0000±0
Normalized OD Score: sc h 0.9620±0
Z-Score: -1.0570±0
p-Value: 0.29049
Z-Factor: -3.88258
Fitness Defect: 1.2362
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|D7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18290±2002.70234
Plate DMSO Control (-):18264.5±1013.26960
Plate Z-Factor:-63.2184
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DBLink | Rows returned: 24<< Back 1 2 3 4 Next >> 
1549370 (2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-(phosphonatooxymethyl)oxolane-3,4-diol
1549371 [(2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
1780944 (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(phosphonatooxymethyl)oxolane-3,4-diol
3082340 [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid;
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid
3450688 2-(6-aminopurin-9-yl)-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolane-3,4-diol
3482394 2-(6-aminopurin-9-yl)-5-(phosphonatooxymethyl)oxolane-3,4-diol

internal high similarity DBLink | Rows returned: 0

active | Cluster 9750 | Additional Members: 25 | Rows returned: 4
Prest466 0.433333333333333
SPE01502238 0.423728813559322
SPE01500667 0.258620689655172
Prest983 0

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