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Compound InformationSONAR Target prediction
Name:

Retinoic acid p-hydroxyanilide

Unique Identifier:LOPAC 00957
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H33NO2
Molecular Weight:358.284 g/mol
X log p:20.884  (online calculus)
Lipinksi Failures1
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(=O)Nc1ccc(O)cc1
Class:Cell Cycle
Action:Inhibitor
Generic_name:N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
Chemical_iupac_name:N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
Drug_type:Experimental
Drugbank_id:EXPT01420
Logp:5.99
Drug_category:Retinol Binding Protein Complexed With Fenre inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6375±0.0318905
Normalized OD Score: sc h 0.9518±0.00615061
Z-Score: -1.4461±0.0107045
p-Value: 0.14815
Z-Factor: -8.95784
Fitness Defect: 1.9095
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:8|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.045950000000000005±0.00103
Plate DMSO Control (-):0.72935±0.15422
Plate Z-Factor:0.5627
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DBLink | Rows returned: 4
1744 N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
5288209 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de
6440160 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de
6603872 (2Z,4E,6Z,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenami
de

internal high similarity DBLink | Rows returned: 0

active | Cluster 820 | Additional Members: 15 | Rows returned: 3
SPE01500143 0.277777777777778
Prest424 0
SPE01502016 0

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