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Compound InformationSONAR Target prediction
Name:

N-Methyldopamine hydrochloride

Unique Identifier:LOPAC 00264
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C9ClH14NO2
Molecular Weight:189.555 g/mol
X log p:6.808  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:3
Canonical Smiles:Cl.CNCCc1ccc(O)c(O)c1
Class:Dopamine
Action:Agonist

Found: 23 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
Species: 4932
Condition: MRC1
Replicates: 2
Raw OD Value: r im 0.8057±0.0161927
Normalized OD Score: sc h 0.9558±0.0123073
Z-Score: -3.2724±1.20495
p-Value: 0.0077701
Z-Factor: -1.0646
Fitness Defect: 4.8575
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|G11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.3314±0.21684
Plate DMSO Control (-):0.813625±0.01988
Plate Z-Factor:0.4359
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DBLink | Rows returned: 6
4382 4-(2-methylaminoethyl)benzene-1,2-diol
86470 4-(2-methylaminoethyl)benzene-1,2-diol hydrochloride
152427 4-(2-dimethylaminoethyl)benzene-1,2-diol
165581 2-(3,4-dihydroxyphenyl)ethyl-trimethyl-azanium
202664 4-(2-dimethylaminoethyl)benzene-1,2-diol hydrochloride
3085010 2-(3,4-dihydroxyphenyl)ethyl-trimethyl-azanium iodide

internal high similarity DBLink | Rows returned: 0

active | Cluster 5045 | Additional Members: 7 | Rows returned: 0

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