| Compound Information | SONAR Target prediction |
| Name: | METHYL DEOXYCHOLATE |
| Unique Identifier: | SPE00270051 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 364.265 g/mol |
| X log p: | -0.0670000000000001 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C |
| Class: | sterol |
| Source: | rabbit bile & feces |
| Reference: | Helv Chim Acta 25:797 (1942); J Biol Chem 238: 3846 (1963) |
| Generic_name: | METHYL NONANOATE (ESTER) |
| Chemical_iupac_name: | METHYL NONANOATE (ESTER) |
| Drug_type: | Experimental |
| Drugbank_id: | EXPT02376 |
| Drug_category: | Neutrophil Gelatinase inhibitor |
| Organisms_affected: | -1 |
| Found: 41 active | as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [41] |
| Species: | 4932 |
| Condition: | CHS5 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6719±0.0105359 |
| Normalized OD Score: sc h | 0.9033±0.00222554 |
| Z-Score: | -4.6943±0.233728 |
| p-Value: | 0.00000355024 |
| Z-Factor: | 0.375852 |
| Fitness Defect: | 12.5485 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 709 | 1 2 3 4 5 6 7 8 9 10 Next >> [119] |
| 7198 | dimethyl cyclohexane-1,4-dicarboxylate |
| 7826 | methyl heptanoate |
| 7829 | dimethyl decanedioate |
| 8050 | methyl decanoate |
| 8091 | methyl octanoate |
| 8139 | methyl dodecanoate |
| internal high similarity DBLink | Rows returned: 7 | 1 2 Next >> |
| RJC 03996 | 0.9091 |
| SPE01504910 | 0.9091 |
| SB 01788 | 0.9677 |
| SPE01500904 | 0.9677 |
| BTB 15024 | 1.0000 |
| FM 00119 | 1.0000 |
| active | Cluster 2228 | Additional Members: 18 | Rows returned: 6 |
| SPE01500835 | 0.309859154929578 |
| SPE01500605 | 0.3 |
| SPE01500837 | 0.3 |
| Prest256 | 0.3 |
| SPE01500906 | 0 |
| Prest88 | 0 |
Service provided by the
Mike Tyers Laboratory