| Compound Information | SONAR Target prediction | | Name: | EUPHOL | | Unique Identifier: | SPE00201697 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 376.32 g/mol | | X log p: | 2.412 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C=3CCC12C | | Class: | triterpene | | Source: | Euphorbia spp. | | Reference: | J Chem Soc 1944:249; 1958:179 | | Generic_name: | LANOSTEROL | | Chemical_iupac_name: | LANOSTEROL | | Drug_type: | Experimental | | Kegg_compound_id: | C01724 | | Drugbank_id: | EXPT02002 | | Logp: | 7.63 | | Cas_registry_number: | 79-63-0 | | Drug_category: | Lanosterol Synthase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5268±0.0490025 |
| Normalized OD Score: sc h |
1.5752±0.041841 |
| Z-Score: |
12.0922±0.147827 |
| p-Value: |
2.22466e-33 |
| Z-Factor: |
0.588629 |
| Fitness Defect: |
75.1857 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.10 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.039125±0.00116 | | Plate DMSO Control (-): | 0.66885±0.02433 | | Plate Z-Factor: | 0.8784 |
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| 5283640 |
(3S,4S,5S,9R,10R,13S,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,9
,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283646 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,1
6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283648 |
(3S,4S,5S,8S,10S,13R,14S,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,
4,5,6,7,8,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 5283654 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R)-5-ethyl-6-methyl-hept-5-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283657 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R)-6,6-dimethyl-5-methylidene-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,1
1,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283659 |
(3S,5S,8S,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methyl-heptan-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,8,
12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 2 | |
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