| Compound Information | SONAR Target prediction | | Name: | ANDROSTERONE ACETATE | | Unique Identifier: | SPE00107113 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 301.231 g/mol | | X log p: | -0.0390000000000001 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1 | | Source: | semisynthetic | | Therapeutics: | androgen |
| Species: |
4932 |
| Condition: |
MT2481-pdr1pdr3-2nd |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4540±0.028355 |
| Normalized OD Score: sc h |
0.6388±0.0568498 |
| Z-Score: |
-8.7343±2.94128 |
| p-Value: |
0.0000000000142183 |
| Z-Factor: |
-2.3237 |
| Fitness Defect: |
24.9765 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.00 Celcius | | Date: | 2007-09-27 YYYY-MM-DD | | Plate CH Control (+): | 0.039675±0.00106 | | Plate DMSO Control (-): | 0.552±0.07218 | | Plate Z-Factor: | 0.5597 |
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ps
pdf |
| 7173448 |
methyl
(4S)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16
,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 7173449 |
methyl
(4S)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16
,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 7203533 |
(4R)-4-[(3R,5R,8R,9R,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 7203534 |
(4R)-4-[(3R,5R,8R,9R,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| 7203535 |
(4R)-4-[(3R,5R,8R,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 7203536 |
(4R)-4-[(3R,5R,8R,9R,10S,13R,14R,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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