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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: MRC1
Replicates: 2
Raw OD Value: r im 0.4003±0.470367
Normalized OD Score: sc h 0.4918±0.581483
Z-Score: -35.1153±38.9648
p-Value: 0.0000000000000196915
Z-Factor: -2.53341
Fitness Defect: 31.5586
Bioactivity Statement: Active
Experimental Conditions
Library:Lopac
Plate Number and Position:12|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2005-12-06 YYYY-MM-DD
Plate CH Control (+):0.33182500000000004±0.13802
Plate DMSO Control (-):0.8097749999999999±0.01236
Plate Z-Factor:0.9373
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
3413344 (3-carboxy-2-tetradecanoyloxy-propyl)-trimethyl-azanium
5236785 (3-carboxy-2-icosanoyloxy-propyl)-trimethyl-azanium
5702250 (3-carboxy-2-octadecanoyloxy-propyl)-trimethyl-azanium chloride
6426854 3-tetradecanoyloxy-4-trimethylammonio-butanoate
6426855 3-octadecanoyloxy-4-trimethylammonio-butanoate
6426896 3-heptanoyloxy-4-trimethylammonio-butanoate

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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