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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 11 12 13 14 15 16 17 18 19 20  Next >> [25]
Species: 4932
Condition: RPA49
Replicates: 2
Raw OD Value: r im 0.5622±0.0115966
Normalized OD Score: sc h 1.1187±0.00181327
Z-Score: 4.1753±0.106184
p-Value: 0.000031316
Z-Factor: -1.83979
Fitness Defect: 10.3714
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2007-12-13 YYYY-MM-DD
Plate CH Control (+):0.04095±0.00088
Plate DMSO Control (-):0.45010000000000006±0.04140
Plate Z-Factor:0.6734
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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

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