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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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8496±0.12447
Normalized OD Score: sc h 0.9914±0.0373562
Z-Score: -0.1576±1.42539
p-Value: 0.295028
Z-Factor: -19.6143
Fitness Defect: 1.2207
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|A5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046749999999999986±0.00334
Plate DMSO Control (-):0.7916312500000005±0.04022
Plate Z-Factor:0.8778
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DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
290479 8-(6-aminopurin-9-yl)-3-methoxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
3080770 (8R,9S)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
3246347 (1R,6S,8S,9R)-8-(6-aminopurin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
3246500 (1S,4S,6R,7R,8S)-8-(6-aminopurin-9-yl)-4-ethoxy-4-oxo-3,5,9-trioxa-4$l^{5}-phosphabicyclo[4.3.0]nonan-7-
ol
3554458 8-(6-aminopurin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol
4132952 8-(6-aminopurin-9-yl)-3-ethoxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol

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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