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

Compound InformationSONAR Target prediction
Name:

METHYLDOPATE HYDROCHLORIDE

Unique Identifier:SPE01505384
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12ClH18NO4
Molecular Weight:257.585 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CCOC(=O)C(C)(N)Cc1ccc(O)c(O)c1
Class:alkaloid
Source:synthetic
Therapeutics:antihypertensive

Found: 103 nonactive | as graph: single | with analogs [1] << Back 101 102 103
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.4741±0.0163342
Normalized OD Score: sc h 0.8811±0.0165521
Z-Score: -3.3307±0.467739
p-Value: 0.00147544
Z-Factor: -0.0707247
Fitness Defect: 6.5188
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|H3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-05 YYYY-MM-DD
Plate CH Control (+):0.041124999999999995±0.00110
Plate DMSO Control (-):0.508475±0.01236
Plate Z-Factor:0.9015
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 10977 | Additional Members: 9 | Rows returned: 3
LOPAC 00613 0
LOPAC 01063 0
SPE01500403 0

Service provided by the Mike Tyers Laboratory