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: |
SER1 |
Replicates: |
2 |
Raw OD Value: r im |
0.4464±0.00954594 |
Normalized OD Score: sc h |
0.7950±0.00434758 |
Z-Score: |
-6.4595±0.0403573 |
p-Value: |
0.000000000106887 |
Z-Factor: |
-2.38153 |
Fitness Defect: |
22.9592 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 8|E4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.70 Celcius | Date: | 2007-09-17 YYYY-MM-DD | Plate CH Control (+): | 0.040025000000000005±0.00056 | Plate DMSO Control (-): | 0.56445±0.09310 | Plate Z-Factor: | 0.4138 |
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6538327 |
copper (E)-octadec-9-enoate |
6708687 |
4-[(5R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,14,15,16,17-dodecahydrocyclopenta[a]phenanthren -17-yl]pentanoic acid |
6708711 |
4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,14,15,16,17-dodecahydro-1H-cyclopenta[a] phenanthren-17-yl]pentanoic acid |
6743876 |
n/a |
7056805 |
(4S)-4-[(5S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoate |
7056806 |
(4S)-4-[(5S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-2,3,4,5,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent a[a]phenanthren-17-yl]pentanoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 15990 | Additional Members: 2 | Rows returned: 1 | |
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