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Compound InformationSONAR Target prediction
Name:

Palmitoyl-DL-Carnitine chloride

Unique Identifier:LOPAC 01137
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C23ClH47NO4
Molecular Weight:389.703 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:20
Canonical Smiles:[ClH-].CCCCCCCCCCCCCCCC(=O)OC(CC(O)=O)C[N+](C)(C)C
Class:Phosphorylation
Action:Modulator
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: 20 active | as graph: single | with analogs << Back 1 2 3 4 5 6 7 8 9 10  Next >> 
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.0435±0.00302145
Normalized OD Score: sc h 0.0876±0.0177355
Z-Score: -19.1462±6.1813
p-Value: 0
Z-Factor: 0.0157384
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Lopac
Plate Number and Position:12|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0453±0.00117
Plate DMSO Control (-):0.635275±0.14583
Plate Z-Factor:0.0916
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
213117 [(2S)-3-carboxy-2-dodecanoyloxy-propyl]-trimethyl-azanium
363417 (3-carboxy-2-hexadecanoyloxy-propyl)-trimethyl-azanium chloride
439824 (3S)-3-octanoyloxy-4-trimethylammonio-butanoate
439825 [(2S)-3-carboxy-2-octanoyloxy-propyl]-trimethyl-azanium
449186 [(2R)-3-carboxy-2-octanoyloxy-propyl]-trimethyl-azanium
566788 [3-carboxy-2-(15-carboxypentadecanoyloxy)propyl]-trimethyl-azanium

internal high similarity DBLink | Rows returned: 2
LOPAC 01208 1.0000
SPE01503629 1.0000

active | Cluster 4759 | Additional Members: 4 | Rows returned: 3
SPE01500820 0.544117647058824
LOPAC 01208 0
SPE01503629 0

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