| 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: |
NAT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7130±0.00155563 |
| Normalized OD Score: sc h |
1.0022±0.00414938 |
| Z-Score: |
0.1309±0.243746 |
| p-Value: |
0.864314 |
| Z-Factor: |
-57.0844 |
| Fitness Defect: |
0.1458 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 13|B7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2008-06-26 YYYY-MM-DD | | Plate CH Control (+): | 0.040125±0.00035 | | Plate DMSO Control (-): | 0.70245±0.01081 | | Plate Z-Factor: | 0.9481 |
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ps
pdf |
| 4064521 |
n/a |
| 4071897 |
2,5,9,9-tetramethylbicyclo[6.2.0]decane-5-carbaldehyde |
| 4094026 |
17-acetyl-5,10,13-trimethyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one |
| 4102838 |
1-(10,13,16-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl
)ethanone |
| 4104798 |
2,4-bis(2-methylbutan-2-yl)cyclohexan-1-one |
| 4119147 |
3-ethyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1-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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