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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 21 22 23 24 25 26 27 28 29 30  Next >> [205]
Species: 4932
Condition: CCR4
Replicates: 2
Raw OD Value: r im 0.6010±0.00558614
Normalized OD Score: sc h 0.9801±0.020233
Z-Score: -0.8496±0.853269
p-Value: 0.475854
Z-Factor: -9.03055
Fitness Defect: 0.7426
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:8|F9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.80 Celcius
Date:2008-04-16 YYYY-MM-DD
Plate CH Control (+):0.041650000000000006±0.00112
Plate DMSO Control (-):0.5956±0.02685
Plate Z-Factor:0.8603
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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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