| Compound Information | SONAR Target prediction | | Name: | DACTINOMYCIN | | Unique Identifier: | SPE00330001 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 1164.74 g/mol | | X log p: | 0.0749999999999996 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 274.92 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 26 | | Rotatable Bond Count: | 10 | | Canonical Smiles: | CC(C)C1NC(=O)C(NC(=O)c2ccc(C)c3Oc4c(C)c(=O)c(N)c(C(=O)NC5C(C)OC(=O)C(C
(C)C)N(C)C(=O)CN(C)C(=O)C6CCCC6C(=O)C(NC5=O)C(C)C)c4=Nc32)C(C)OC(=O)C(
C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCC2C1=O | | Class: | macrolide | | Source: | Actinomyces spp | | Therapeutics: | antineoplastic, intercalating agent |
| Species: |
4932 |
| Condition: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3451±0.00190919 |
| Normalized OD Score: sc h |
0.7162±0.0154115 |
| Z-Score: |
-8.7593±0.43329 |
| p-Value: |
1.42681e-17 |
| Z-Factor: |
0.47023 |
| Fitness Defect: |
38.7885 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 2|G11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.040025000000000005±0.00056 | | Plate DMSO Control (-): | 0.462225±0.01647 | | Plate Z-Factor: | 0.8852 |
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| DBLink | Rows returned: 1 | |
| 2019 |
2-amino-4,6-dimethyl-3-oxo-N,N--bis(7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-dipropan-2-yl-8-oxa-1,4,
11,14-tetrazabicyclo[14.3.0]nonadec-6-yl)phenoxazine-1,9-dicarboxamide |
| internal high similarity DBLink | Rows returned: 0 | |
| nonactive | Cluster 1492 | Additional Members: 3 | Rows returned: 1 | |
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