| Compound Information | SONAR Target prediction | | Name: | CARDIOLIPIN SODIUM | | Unique Identifier: | SPE01500820 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C57H108Na2O17P2 | | Molecular Weight: | 1064.53 g/mol | | X log p: | -2.823 (online calculus) | | Lipinksi Failures | 2 | | TPSA | 242 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 17 | | Rotatable Bond Count: | 62 | | Canonical Smiles: | [Na+].[Na+].[O-]P(=O)(OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)
CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC | | Source: | ex heart and liver tissue | | Generic_name: | CARDIOLIPIN | | Chemical_iupac_name: | CARDIOLIPIN | | Drug_type: | Experimental | | Kegg_compound_id: | C05980 | | Drugbank_id: | EXPT00874 | | Drug_category: | ADP, ATP Carrier Protein Heart Isoform T1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CKA2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6890±0.00827315 |
| Normalized OD Score: sc h |
0.8027±0.0103874 |
| Z-Score: |
-7.0866±0.0493127 |
| p-Value: |
0.00000000000141715 |
| Z-Factor: |
0.493019 |
| Fitness Defect: |
27.2824 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 10|B9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2006-04-03 YYYY-MM-DD | | Plate CH Control (+): | 0.038075±0.00176 | | Plate DMSO Control (-): | 0.830075±0.01925 | | Plate Z-Factor: | 0.9145 |
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| 5287898 |
[(2R)-3-[[3-[[(2R)-2,3-dioctadecanoyloxypropoxy]-oxido-phosphoryl]oxy-2-hydroxy-propoxy]-oxido-phosphory
l]oxy-2-octadecanoyloxy-propyl] octadecanoate |
| 5326794 |
[(2S)-2,3-dinonanoyloxypropoxy]-[3-[[(2S)-2,3-dinonanoyloxypropoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-pro
poxy]phosphinic acid |
| 5327119 |
[(2R)-3-dodecanoyloxy-2-nonanoyloxy-propoxy]-[(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-pentadecanoyloxypropoxy]
phosphoryl]oxy-propoxy]phosphinic acid |
| 6708783 |
2,3-didodecanoyloxypropoxy-[3-(2,3-didodecanoyloxypropoxy-hydroxy-phosphoryl)oxy-2-hydroxy-propoxy]phosp
hinic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 4759 | Additional Members: 4 | Rows returned: 3 | |
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