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Compound InformationSONAR Target prediction
Name:

DL-Stearoylcarnitine chloride

Unique Identifier:LOPAC 01208
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C25ClH51NO4
Molecular Weight:413.725 g/mol
X log p:-0.852  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:22
Canonical Smiles:[ClH-].CCCCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C
Class:Phosphorylation
Action:Inhibitor
Selectivity:PKC
Generic_name:3-CARBOXY-N,N,N-TRIMETHYL-2-(OCTANOYLOXY
Chemical_iupac_name:OCTANOYLCARNITINE
Drug_type:Experimental
Drugbank_id:EXPT02414
Logp:-2.33
Drug_category:Peroxisomal Carnitine O-Octanoyltransfer inhibitor
Organisms_affected:-1

Found: 12 nonactive | as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.7873±0.0120915
Normalized OD Score: sc h 0.9601±0.0132197
Z-Score: -2.9878±0.706996
p-Value: 0.00666904
Z-Factor: -1.06019
Fitness Defect: 5.0103
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:14|H7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.0393±0.00128
Plate DMSO Control (-):0.79655±0.01088
Plate Z-Factor:0.9386
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
123701 3-octanoyloxy-4-trimethylammonio-butanoate
123702 (3-carboxy-2-octanoyloxy-propyl)-trimethyl-azanium
167759 [(2R)-3-carboxy-2-hexadecanoyloxy-propyl]-trimethyl-azanium chloride
167760 [(2R)-3-carboxy-2-hexadecanoyloxy-propyl]-trimethyl-azanium
168381 (3R)-3-dodecanoyloxy-4-trimethylammonio-butanoate
168382 [(2R)-3-carboxy-2-dodecanoyloxy-propyl]-trimethyl-azanium

internal high similarity DBLink | Rows returned: 2
LOPAC 01137 1.0000
SPE01503629 1.0000

active | Cluster 4759 | Additional Members: 4 | Rows returned: 3
SPE01500820 0.544117647058824
LOPAC 01137 0
SPE01503629 0

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