Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

FENDILINE HYDROCHLORIDE

Unique Identifier:SPE01501026
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:325.706 g/mol
X log p:31.653  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:1
Rotatable Bond Count:7
Canonical Smiles:Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
Source:synthetic
Therapeutics:coronary vasodilator

Found: 82 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [82]
Species: 4932
Condition: NDI1
Replicates: 2
Raw OD Value: r im 0.6007±0.00685894
Normalized OD Score: sc h 0.8860±0.00337649
Z-Score: -5.2820±0.160527
p-Value: 0.000000152185
Z-Factor: -0.0415911
Fitness Defect: 15.6982
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:22|B4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.60 Celcius
Date:2008-03-13 YYYY-MM-DD
Plate CH Control (+):0.0395±0.00049
Plate DMSO Control (-):0.6676±0.02295
Plate Z-Factor:0.8650
png
ps
pdf

DBLink | Rows returned: 5
3336 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
26154 3,3-diphenylpropyl-(1-phenylethyl)azanium chloride
657353 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine; hydrogen(+1) cation; chloride
5702162 3,3-diphenyl-N-(1-phenylethyl)propan-1-amine hydrochloride
6604342 3,3-diphenyl-N-[(1S)-1-phenylethyl]propan-1-amine

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 3400 | Additional Members: 5 | Rows returned: 3
LOPAC 00929 0.555555555555556
Prest878 0.404761904761905
Prest568 0

Service provided by the Mike Tyers Laboratory