| Compound Information | SONAR Target prediction | | Name: | Doxazosin mesylate | | Unique Identifier: | LOPAC 00867 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H29N5O8S | | Molecular Weight: | 518.352 g/mol | | X log p: | 13.101 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 85.19 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 10 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1.CS(O)(=O)=O | | Class: | Adrenoceptor | | Action: | Blocker | | Selectivity: | alpha1 |
| Species: |
4932 |
| Condition: |
BY4741 |
| Replicates: |
8 |
| Raw OD Value: r im |
0.7762±0.0900425 |
| Normalized OD Score: sc h |
0.9818±0.013975 |
| Z-Score: |
-0.6353±0.315769 |
| p-Value: |
0.525238 |
| Z-Factor: |
-39.0095 |
| Fitness Defect: |
0.6439 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 6|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.70 Celcius | | Date: | 2005-04-07 YYYY-MM-DD | | Plate CH Control (+): | 0.046787499999999996±0.00101 | | Plate DMSO Control (-): | 0.7538062500000003±0.03766 | | Plate Z-Factor: | 0.8896 |
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ps
pdf |
| DBLink | Rows returned: 3 | |
| 62978 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl
)methanone; methanesulfonic acid |
| 6604101 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(9R)-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien
-9-yl]methanone; methanesulfonic acid |
| 6604575 |
[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-[(9S)-7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien
-9-yl]methanone; methanesulfonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 11747 | Additional Members: 10 | Rows returned: 1 | |
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