Compound Information | SONAR Target prediction | Name: | (±)-Metoprolol (+)-tartrate | Unique Identifier: | LOPAC 01051 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C34H56N2O12 | Molecular Weight: | 628.37 g/mol | X log p: | 8.307 (online calculus) | Lipinksi Failures | 1 | TPSA | 18.46 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 9 | Canonical Smiles: | COCCc1ccc(OCC(O)CNC(C)C)cc1.COCCc1ccc(OCC(O)CNC(C)C)cc1.OC(C(O)C(O)=O) C(O)=O | Class: | Adrenoceptor | Action: | Antagonist | Selectivity: | beta1 |
Species: |
4932 |
Condition: |
SMI1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6500±0.0158392 |
Normalized OD Score: sc h |
1.0242±0.0136116 |
Z-Score: |
0.6479±0.320225 |
p-Value: |
0.527666 |
Z-Factor: |
-2.83422 |
Fitness Defect: |
0.6393 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 10|A9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.10 Celcius | Date: | 2005-11-15 YYYY-MM-DD | Plate CH Control (+): | 0.038925±0.02430 | Plate DMSO Control (-): | 0.667825±0.02097 | Plate Z-Factor: | 0.6217 |
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DBLink | Rows returned: 6 | |
41860 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
441308 |
(2R,3R)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
5702086 |
2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
6420057 |
2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
6604132 |
(2S,3R)-2,3-dihydroxybutanedioic acid; (2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
15991597 |
(2S,3S)-2,3-dihydroxybutanedioic acid; 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 7246 | Additional Members: 18 | Rows returned: 1 | |
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