| Compound Information | SONAR Target prediction | | Name: | CHOL-11-ENIC ACID | | Unique Identifier: | SPE01500856 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C24H36O3 | | Molecular Weight: | 337.263 g/mol | | X log p: | 4.247 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 34.14 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C | | Generic_name: | OLEIC ACID | | Chemical_iupac_name: | OLEIC ACID | | Drug_type: | Experimental | | Kegg_compound_id: | C00712 | | Drugbank_id: | EXPT02430 | | Logp: | 6.036 | | Cas_registry_number: | 112-80-1 | | Drug_category: | Serum Albumin inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
DBP3 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5788±0.0235467 |
| Normalized OD Score: sc h |
0.8701±0.0127007 |
| Z-Score: |
-6.7526±0.909464 |
| p-Value: |
0.000000000499716 |
| Z-Factor: |
-0.33714 |
| Fitness Defect: |
21.417 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 8|E4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.90 Celcius | | Date: | 2007-09-13 YYYY-MM-DD | | Plate CH Control (+): | 0.0398±0.00039 | | Plate DMSO Control (-): | 0.6654249999999999±0.02790 | | Plate Z-Factor: | 0.8683 |
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ps
pdf |
| 2754281 |
(4S)-4-[(5S,10R,13R)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthre
n-17-yl]pentanoic acid |
| 3383008 |
2,3,3a,4,7,7a-hexahydro-1H-indene-2-carboxylic acid |
| 3470682 |
bicyclo[6.1.0]non-4-ene-9-carboxylic acid |
| 3625954 |
4-(10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic
acid |
| 3972785 |
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pe
ntanoic acid |
| 3981544 |
4-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoic
acid |
| internal high similarity DBLink | Rows returned: 5 | |
| nonactive | Cluster 15990 | Additional Members: 2 | Rows returned: 1 | |
|
