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Compound InformationSONAR Target prediction
Name:

STEAROYLCARNITINE CHLORIDE

Unique Identifier:SPE01503629
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
Therapeutics:protein kinase C inhibitor
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: 85 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [85]
Species: 4932
Condition: SWE1
Replicates: 2
Raw OD Value: r im 0.4387±0.017607
Normalized OD Score: sc h 0.5712±0.0203104
Z-Score: -12.8595±0.438567
p-Value: 2.00298e-36
Z-Factor: 0.707137
Fitness Defect: 82.1984
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2006-04-19 YYYY-MM-DD
Plate CH Control (+):0.0377±0.00097
Plate DMSO Control (-):0.743±0.01573
Plate Z-Factor:0.9078
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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 01137 1.0000
LOPAC 01208 1.0000

active | Cluster 4759 | Additional Members: 4 | Rows returned: 3
SPE01500820 0.544117647058824
LOPAC 01208 0
LOPAC 01137 0

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