| Compound Information | SONAR Target prediction | | Name: | 3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradeca
hydro-1H-cyclopenta[a]phenanthren-17-one | | Unique Identifier: | JFD 01755 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C19H28O2 | | Molecular Weight: | 262.218 g/mol | | X log p: | 1.074 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 17.07 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 2 | | Rotatable Bond Count: | 0 | | Canonical Smiles: | CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O | | Generic_name: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | | Chemical_iupac_name: | 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE | | Drug_type: | Experimental | | Drugbank_id: | EXPT00519 | | Logp: | 3.73 | | Drug_category: | Isomerase inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
CKI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8850±0.0098995 |
| Normalized OD Score: sc h |
0.9041±0.0000436463 |
| Z-Score: |
-0.6979±0.035508 |
| p-Value: |
0.485392 |
| Z-Factor: |
-0.0603857 |
| Fitness Defect: |
0.7228 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Bioactive | | Plate Number and Position: | 4|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2011-06-14 YYYY-MM-DD | | Plate CH Control (+): | 0.09575±0.00687 | | Plate DMSO Control (-): | 0.937±0.03483 | | Plate Z-Factor: | 0.8522 |
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| 76 |
3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one |
| 1027 |
1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
ethanone |
| 5881 |
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one |
| 8955 |
1-[(3S,8S,9S,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone |
| 101465 |
(2S)-2-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H
-cyclopenta[a]phenanthren-17-yl]-6-methyl-heptan-3-one |
| 134506 |
(3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 10893 | Additional Members: 6 | Rows returned: 1 | |
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