| Compound Information | SONAR Target prediction | | Name: | CAMPHOR (1R) | | Unique Identifier: | SPE01500156 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 136.106 g/mol | | X log p: | -0.875 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 1 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC1(C)C2CCC1(C)C(=O)C2 | | Class: | terpene | | Source: | Cinnamomum camphora | | Therapeutics: | analgesic, antiinfective, antipruritic | | Generic_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Chemical_iupac_name: | 5ALPHA-ANDROSTAN-3,17-DIONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00262 | | Drug_category: | Estradiol 17 Beta-Dehydrogenase 1 inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
IRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.9120±0.0026163 |
| Normalized OD Score: sc h |
1.0260±0.00341809 |
| Z-Score: |
-0.1606±0.188737 |
| p-Value: |
0.873514 |
| Z-Factor: |
-118.314 |
| Fitness Defect: |
0.1352 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 1|G6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.09475±0.00726 | | Plate DMSO Control (-): | 0.9812500000000001±0.22794 | | Plate Z-Factor: | -0.4294 |
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ps
pdf |
| 7052975 |
(5S,8R,9R,10S,13R,14S)-5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthre
ne-3,17-dione |
| 7052976 |
(5R,8R,9R,10S,13R,14S)-5,10,13-trimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthre
ne-3,17-dione |
| 7053103 |
(5S,8R,9R,10S,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053104 |
(5S,8R,9R,10S,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053105 |
(5S,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| 7053106 |
(5S,8R,9R,10S,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,1
7-tetradecahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 17 | 1 2 3 Next >> |
| active | Cluster 10613 | Additional Members: 2 | Rows returned: 0 | |
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