| Compound Information | SONAR Target prediction | | Name: | DIHYDROLANOSTEROL | | Unique Identifier: | SPE00240449 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C30H52O | | Molecular Weight: | 376.32 g/mol | | X log p: | 0.339 (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)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC4(C)C=3CCC12C | | Source: | ex wool fat of sheep | | Reference: | J Chem Soc 1951: 3147 | | 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: |
IDH2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5680±0.0104652 |
| Normalized OD Score: sc h |
0.9789±0.00671997 |
| Z-Score: |
-1.0634±0.36265 |
| p-Value: |
0.303288 |
| Z-Factor: |
-82.7212 |
| Fitness Defect: |
1.1931 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 24|G7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.30 Celcius | | Date: | 2007-10-19 YYYY-MM-DD | | Plate CH Control (+): | 0.041425000000000003±0.00073 | | Plate DMSO Control (-): | 0.570875±0.10107 | | Plate Z-Factor: | 0.4060 |
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| 5273652 |
(3S,5R,9R,10S,13S,14S,17R)-4,4,13,14-tetramethyl-17-(6-methylhept-5-en-2-yl)-1,2,3,5,6,9,10,11,12,15,16,
17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 5281331 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methyl-hept-3-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 |
| 5283628 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(E,2S,5R)-5,6-dimethylhept-3-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 |
| 5283633 |
(5S,9R,10R,13S,14R,17R)-4,10,13-trimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,1
5,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283636 |
(5S,9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14
,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5283639 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R,5S)-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 |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 3 | |
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