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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 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 1931.0000±0
Normalized OD Score: sc h 0.9451±0
Z-Score: -1.2368±0
p-Value: 0.21615
Z-Factor: -16.1294
Fitness Defect: 1.5318
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 (+):967.5±954.39230
Plate DMSO Control (-):2031±542.13094
Plate Z-Factor:-4.5046
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DBLink | Rows returned: 242 3 4 Next >> 
224 [5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
6083 [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
20712 disodium (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(phosphonatooxymethyl)oxolane-3,4-diol
26054 sodium (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolane-3,4-diol
34768 [(2R,3R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid
37080 potassium (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolane-3,4-diol

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 9750 | Additional Members: 25 | Rows returned: 202 3 4 Next >> 
LOPAC 00771 0.526315789473684
SPE01503416 0.508771929824561
LOPAC 01041 0.508771929824561
SPE01505705 0.477611940298508
SPE01505167 0.446428571428571
LOPAC 00464 0.436363636363636

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