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

Compound InformationSONAR Target prediction
Name:

ETHAVERINE HYDROCHLORIDE

Unique Identifier:SPE01501000
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:401.714 g/mol
X log p:15.917  (online calculus)
Lipinksi Failures1
TPSA49.28
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:10
Canonical Smiles:Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
Source:synthetic
Therapeutics:antispasmodic

Found: 576 nonactive | as graph: single | with analogs [1] << Back 411 412 413 414 415 416 417 418 419 420  Next >> [576]
Species: 4932
Condition: HSC82
Replicates: 2
Raw OD Value: r im 0.7176±0.00339411
Normalized OD Score: sc h 0.9909±0.00629753
Z-Score: -0.5202±0.378672
p-Value: 0.615684
Z-Factor: -7.50906
Fitness Defect: 0.485
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|G7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.20 Celcius
Date:2008-04-29 YYYY-MM-DD
Plate CH Control (+):0.04065±0.00077
Plate DMSO Control (-):0.71015±0.01292
Plate Z-Factor:0.9369
png
ps
pdf

DBLink | Rows returned: 2
3280 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline
5702159 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-isoquinoline hydrochloride

internal high similarity DBLink | Rows returned: 3
LOPAC 00582 0.9057
SB 01383 0.9057
SPE01500459 0.9057

active | Cluster 1145 | Additional Members: 7 | Rows returned: 1
Prest1049 0.4

Service provided by the Mike Tyers Laboratory