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Compound InformationSONAR Target prediction
Name:

PREGNENOLONE

Unique Identifier:SPE01500645
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:284.224 g/mol
X log p:1.745  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Source:semisynthetic
Therapeutics:glucocortcoid, antiinflammatory
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

Found: 30 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [30]
Species: 4932
Condition: ARL3
Replicates: 2
Raw OD Value: r im 0.5868±0.0053033
Normalized OD Score: sc h 0.9028±0.00340319
Z-Score: -4.5895±0.333869
p-Value: 0.00000740066
Z-Factor: 0.0221461
Fitness Defect: 11.8139
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|F8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-06-11 YYYY-MM-DD
Plate CH Control (+):0.0402±0.00051
Plate DMSO Control (-):0.65265±0.01901
Plate Z-Factor:0.9047
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
3401651 3-hydroxy-10,13-dimethyl-16-propan-2-yl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren
-17-one
3408999 6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
heptan-3-one
3411907 3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
3553248 (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxi
danium
3830292 1-(3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17
-yl)ethanone
4367012 16-cyclohexyl-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-
17-one

internal high similarity DBLink | Rows returned: 3
JFD 01755 1.0000
NRB 04201 1.0000
SPE00100582 1.0000

nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6
SPE01505123 0.435897435897436
Prest1157 0.405797101449275
SPE00270029 0.405797101449275
Prest859 0.276923076923077
LOPAC 00530 0.227272727272727
SPE01505713 0.205882352941177

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