| Compound Information | SONAR Target prediction | | Name: | LATHOSTEROL | | Unique Identifier: | SPE01500843 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 341.296 g/mol | | X log p: | 3.679 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 0 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 5 | | Canonical Smiles: | CC(C)CCCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C | | Class: | sterol | | Source: | Austeria rubens | | Reference: | J Biol Chem 248: 6697 (1973) | | 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7027±0.00438406 |
| Normalized OD Score: sc h |
0.9896±0.00312581 |
| Z-Score: |
-0.5661±0.178349 |
| p-Value: |
0.574358 |
| Z-Factor: |
-6.26365 |
| Fitness Defect: |
0.5545 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|F9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.00 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041624999999999995±0.00032 | | Plate DMSO Control (-): | 0.684675±0.01815 | | Plate Z-Factor: | 0.9186 |
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ps
pdf |
| 441837 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 443245 |
(3S,4S,10R,13S)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-2,3,4,5,6,9,11,12,14,15,1
6,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 443246 |
(3S,4S,10R,13S)-4,10,13-trimethyl-17-[(2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-do
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 472008 |
n/a |
| 472759 |
(3S,5S,10S,13S,14S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-d
ecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 472760 |
(3S,5S,10S,13S,14S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-d
ecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 14237 | Additional Members: 2 | Rows returned: 0 | |
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