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Compound InformationSONAR Target prediction
Name:

Adamantamine fumarate

Unique Identifier:Prest555
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H21NO4
Molecular Weight:249.178 g/mol
X log p:-0.501  (online calculus)
Lipinksi Failures0
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:0
Canonical Smiles:NC12CC3CC(CC(C3)C1)C2.OC(=O)C=CC(O)=O

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2048.0000±0
Normalized OD Score: sc h 1.0017±0
Z-Score: 0.0378±0
p-Value: 0.96985
Z-Factor: -8.58461
Fitness Defect: 0.0306
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:6|A8
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.00 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):1009.5±953.84240
Plate DMSO Control (-):2021±558.06298
Plate Z-Factor:-4.4864
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DBLink | Rows returned: 71 2 Next >> 
5355379 but-2-enedioic acid; cyclohexylmethanamine
5356808 but-2-enedioic acid; 1-norbornan-2-ylpropan-2-amine
6364531 adamantan-1-amine; but-2-enedioic acid
6446260 but-2-enedioic acid; 4-ethyl-2-methyl-heptan-2-amine
6447650 but-2-enedioic acid; spiro[2.7]decan-4-amine
6508293 but-2-enedioic acid; cyclohexylmethanamine

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 6660 | Additional Members: 3 | Rows returned: 2
SPE01500110 0
LOPAC 00243 0

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