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Compound InformationSONAR Target prediction
Name:

ENALAPRIL MALEATE

Unique Identifier:SPE01501214
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:460.265 g/mol
X log p:9.372  (online calculus)
Lipinksi Failures2
TPSA63.68
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:11
Canonical Smiles:CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1CCCC1C(O)=O.OC(=O)C=CC(O)=O
Source:synthetic
Therapeutics:ACE inhibitor, antihypertensive

Found: 205 nonactive as graph: single | with analogs [1] << Back 161 162 163 164 165 166 167 168 169 170  Next >> [205]
Species: 4932
Condition: MT2481-pdr1pdr3-2nd
Replicates: 2
Raw OD Value: r im 0.5735±0.00304056
Normalized OD Score: sc h 1.0064±0.00929458
Z-Score: 0.8390±0.451434
p-Value: 0.424974
Z-Factor: -4.20481
Fitness Defect: 0.8557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:15|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-09-27 YYYY-MM-DD
Plate CH Control (+):0.040275±0.00055
Plate DMSO Control (-):0.55255±0.01251
Plate Z-Factor:0.9259
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DBLink | Rows returned: 4
5388961 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
5462344 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
6435926 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
6526385 but-2-enedioic acid;
(2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1273 | Additional Members: 7 | Rows returned: 6
SPE01503076 0.388235294117647
Prest197 0.358024691358025
SPE01505212 0.311688311688312
SPE01505264 0.0821917808219178
Prest232 0
SPE01505214 0

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