| Compound Information | SONAR Target prediction |
| Name: | STEAROYLCARNITINE CHLORIDE |
| Unique Identifier: | SPE01503629 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C25ClH51NO4 |
| Molecular Weight: | 413.725 g/mol |
| X log p: | -0.852 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 43.37 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 22 |
| Canonical Smiles: | [ClH-].CCCCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C |
| Therapeutics: | protein kinase C inhibitor |
| Generic_name: | 3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY |
| Chemical_iupac_name: | OCTANOYLCARNITINE |
| Drug_type: | Experimental |
| Drugbank_id: | EXPT02414 |
| Logp: | -2.33 |
| Drug_category: | Peroxisomal Carnitine O-Octanoyltransfer inhibitor |
| Organisms_affected: | -1 |
| Found: 85 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [85] |
| Species: | 4932 |
| Condition: | BRE1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.1077±0.0258094 |
| Normalized OD Score: sc h | 0.2383±0.0412865 |
| Z-Score: | -13.7733±0.111096 |
| p-Value: | 6.08164e-43 |
| Z-Factor: | 0.575381 |
| Fitness Defect: | 97.2059 |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 42 | 1 2 3 4 5 6 7 Next >> |
| 461 | 3-hexadecanoyloxy-4-trimethylammonio-butanoate |
| 462 | (3-carboxy-2-hexadecanoyloxy-propyl)-trimethyl-azanium |
| 4669 | (3-carboxy-2-pentadecanoyloxy-propyl)-trimethyl-azanium |
| 5282 | (3-carboxy-2-octadecanoyloxy-propyl)-trimethyl-azanium |
| 16902 | (3S)-3-hexadecanoyloxy-4-trimethylammonio-butanoate |
| 16903 | [(2S)-3-carboxy-2-hexadecanoyloxy-propyl]-trimethyl-azanium |
| internal high similarity DBLink | Rows returned: 2 |
| LOPAC 01137 | 1.0000 |
| LOPAC 01208 | 1.0000 |
| active | Cluster 4759 | Additional Members: 4 | Rows returned: 3 |
| SPE01500820 | 0.544117647058824 |
| LOPAC 01208 | 0 |
| LOPAC 01137 | 0 |
Service provided by the
Mike Tyers Laboratory