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

Compound InformationSONAR Target prediction
Name:

ACETYLCHOLINE

Unique Identifier:SPE01500104
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:165.533 g/mol
X log p:0.00600000000000001  (online calculus)
Lipinksi Failures0
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:4
Canonical Smiles:[ClH-].CC(=O)OCC[N+](C)(C)C
Source:synthetic
Therapeutics:antiarrhythmic, miotic, vasodilator (peripheral)
Generic_name:ACETYLCHOLINE
Chemical_iupac_name:ACETYLCHOLINE
Drug_type:Experimental
Kegg_compound_id:C01996
Drugbank_id:EXPT00412
Logp:-3.9 +/- 0.36
Cas_registry_number:51-84-3
Drug_category:Acetylcholinesterase inhibitor
Organisms_affected:-1

Found: 25 active | as graph: single | with analogs [1] << Back 21 22 23 24 25 Next >> [25]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.1446±0.00657609
Normalized OD Score: sc h 0.2353±0.0111958
Z-Score: -12.3344±0.428884
p-Value: 1.2192e-33
Z-Factor: 0.83378
Fitness Defect: 75.7871
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|D2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.04±0.00170
Plate DMSO Control (-):0.59755±0.01851
Plate Z-Factor:0.9126
png
ps
pdf

DBLink | Rows returned: 8<< Back 1 2
5315629 2-acetyloxyethyl-trimethyl-azanium hydroxide
6994138 2-acetyloxyethyl-dimethyl-azanium

internal high similarity DBLink | Rows returned: 0

active | Cluster 239 | Additional Members: 7 | Rows returned: 1
LOPAC 00736 0.451612903225806

Service provided by the Mike Tyers Laboratory