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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 11 12 13 14 15 16 17 18 19 20  Next >> [85]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.5982±0.0988535
Normalized OD Score: sc h 0.7784±0.134222
Z-Score: -12.4234±7.35363
p-Value: 0.000000000000253194
Z-Factor: -1.09062
Fitness Defect: 29.0046
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:24|F5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.40 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.038625±0.00096
Plate DMSO Control (-):0.746075±0.01374
Plate Z-Factor:0.9299
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DBLink | Rows returned: 42<< Back 1 2 3 4 5 6 7 Next >> 
177508 (3-carboxy-2-octanoyloxy-propyl)-trimethyl-azanium chloride
177509 (3-carboxy-2-dodecanoyloxy-propyl)-trimethyl-azanium chloride
177510 (3-carboxy-2-dodecanoyloxy-propyl)-trimethyl-azanium
191006 (3R)-4-trimethylammonio-3-undecanoyloxy-butanoate
191007 [(2R)-3-carboxy-2-undecanoyloxy-propyl]-trimethyl-azanium
213116 (3S)-3-dodecanoyloxy-4-trimethylammonio-butanoate

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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