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Compound InformationSONAR Target prediction
Name:

Adenosine 3`,5`-cyclic monophosphate

Unique Identifier:LOPAC 00694
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10H12N5O6P
Molecular Weight:317.111 g/mol
X log p:1.654  (online calculus)
Lipinksi Failures1
TPSA94.89
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:11
Rotatable Bond Count:1
Canonical Smiles:Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1O
Class:Phosphorylation
Action:Activator
Selectivity:PKA
Generic_name:CYCLIC AMP; CAMP
Chemical_iupac_name:ADENOSINE-3-,5--CYCLIC-MONOPHOSPHATE
Drug_type:Experimental
Drugbank_id:EXPT00959
Logp:-0.53 +/- 0.57
Drug_category:Adenylate Cyclase inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CLN3
Replicates: 2
Raw OD Value: r im 0.6756±0.00799031
Normalized OD Score: sc h 0.9746±0.0317108
Z-Score: -0.9747±1.24852
p-Value: 0.495006
Z-Factor: -271.977
Fitness Defect: 0.7032
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.04875±0.00419
Plate DMSO Control (-):0.702625±0.04286
Plate Z-Factor:0.8237
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DBLink | Rows returned: 171 2 3 Next >> 
274 8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
6076 (1R,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
94231 [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[(2R,3R,4R,5R)-5-(6-aminopurin-9-
yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-phosphinic acid
216877 sodium
(1R,6R,8R,9R)-8-(6-aminopurin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
216878 (1R,6R,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
260398 [5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymeth
yl)oxolan-3-yl]oxy-phosphinic acid

internal high similarity DBLink | Rows returned: 2
LOPAC 00415 0.9038
SPE01500667 0.9421

active | Cluster 725 | Additional Members: 3 | Rows returned: 0
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