| 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: |
SLT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8367±0.0066468 |
| Normalized OD Score: sc h |
1.1029±0.0214311 |
| Z-Score: |
5.0751±1.04865 |
| p-Value: |
0.00000733842 |
| Z-Factor: |
0.00717723 |
| Fitness Defect: |
11.8224 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 4|B2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.10 Celcius | | Date: | 2006-03-21 YYYY-MM-DD | | Plate CH Control (+): | 0.038849999999999996±0.00114 | | Plate DMSO Control (-): | 0.7513±0.00935 | | Plate Z-Factor: | 0.9644 |
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ps
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| 5379721 |
17-[(E)-5,6-dimethylhept-4-en-2-yl]-10,13,14-trimethyl-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopent
a[a]phenanthren-3-ol |
| 5459827 |
(3S,5S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17
-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 5460076 |
(3S,5S,9R,10S,13S,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,1
6,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 5492463 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-7-methyl-6-methylidene-octan-2-yl]-10,13-dimethyl-2,3,4,5
,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 6321372 |
(3S,5S,9R,10R,13S,14R,17R)-17-[(2R,5R)-5-ethyl-6-methyl-hept-6-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 |
| 6370213 |
10,13-dimethyl-17-[(E)-3,4,5-trimethylhex-2-enyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[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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