| Compound Information | SONAR Target prediction | | Name: | (-)-Adenosine 3`,5`-cyclic monophosphate | | Unique Identifier: | Prest1144 | | 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 Failures | 1 | | TPSA | 94.89 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 11 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1O | | 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 |
| Species: |
9606 |
| Condition: |
TMPPre003 |
| Replicates: |
2 |
| Raw OD Value: r im |
11953.0000±0 |
| Normalized OD Score: sc h |
1.0099±0 |
| Z-Score: |
0.2750±0 |
| p-Value: |
0.78329 |
| Z-Factor: |
-6.64813 |
| Fitness Defect: |
0.2443 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Prestwick | | Plate Number and Position: | 14|F3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 23.60 Celcius | | Date: | 2006-10-10 YYYY-MM-DD | | Plate CH Control (+): | 22309.5±7874.12854 | | Plate DMSO Control (-): | 12130±7429.00076 | | Plate Z-Factor: | -6.0556 |
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| 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: 0 | |
| active | Cluster 725 | Additional Members: 3 | Rows returned: 0 | |
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