| 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: |
SSE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6115±0.0178898 |
| Normalized OD Score: sc h |
1.2647±0.0137982 |
| Z-Score: |
7.1026±0.0510406 |
| p-Value: |
0.00000000000126544 |
| Z-Factor: |
0.288518 |
| Fitness Defect: |
27.3956 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 25|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-05-01 YYYY-MM-DD | | Plate CH Control (+): | 0.04135±0.00062 | | Plate DMSO Control (-): | 0.444925±0.02161 | | Plate Z-Factor: | 0.8263 |
|  png
ps
pdf |
| 65252 |
(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methyl-5-methylidene-heptan-2-yl]-1,2,3,4,5
,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol |
| 65581 |
(3S,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-dec
ahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 65728 |
(3S,5S,9R,10R,13S,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-do
decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| 86180 |
17-(5-ethyl-6-methyl-hept-6-en-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-3-ol |
| 86509 |
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-3-ol |
| 86753 |
2-(4-methyl-1-cyclohex-3-enyl)propan-1-ol |
| internal high similarity DBLink | Rows returned: 11 | 1 2 Next >> |
| active | Cluster 1278 | Additional Members: 6 | Rows returned: 2 | |
|
