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Compound InformationSONAR Target prediction
Name:

CARDIOLIPIN SODIUM

Unique Identifier:SPE01500820
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H108Na2O17P2
Molecular Weight:1064.53 g/mol
X log p:-2.823  (online calculus)
Lipinksi Failures2
TPSA242
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:17
Rotatable Bond Count:62
Canonical Smiles:[Na+].[Na+].[O-]P(=O)(OCC(O)COP([O-])(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)
CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
Source:ex heart and liver tissue
Generic_name:CARDIOLIPIN
Chemical_iupac_name:CARDIOLIPIN
Drug_type:Experimental
Kegg_compound_id:C05980
Drugbank_id:EXPT00874
Drug_category:ADP, ATP Carrier Protein Heart Isoform T1 inhibitor
Organisms_affected:-1

Found: 59 active | as graph: single | with analogs [1] << Back 51 52 53 54 55 56 57 58 59 Next >> [59]
Species: 4932
Condition: SHM2
Replicates: 2
Raw OD Value: r im 0.6598±0.0197283
Normalized OD Score: sc h 0.8112±0.0217466
Z-Score: -6.9774±0.550507
p-Value: 0.0000000000223512
Z-Factor: 0.318269
Fitness Defect: 24.5241
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:10|B9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-04-08 YYYY-MM-DD
Plate CH Control (+):0.03875±0.00239
Plate DMSO Control (-):0.787525±0.01679
Plate Z-Factor:0.9292
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DBLink | Rows returned: 16<< Back 1 2 3 Next >> 
447885 [(2R)-3-[[(2R)-2,3-diacetyloxypropoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]-[(2R)-2-pentanoyloxy-3-
tridecanoyloxy-propoxy]phosphinic acid
447891 [(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-pentanoyloxy-3-tridecanoyloxy-propoxy]phosphoryl]oxy-propoxy]phosphon
ic acid
448340 [(2R)-2-hydroxy-3-[hydroxy-[(2R)-2-nonanoyloxy-3-pentadecanoyloxy-propoxy]phosphoryl]oxy-propoxy]-[(2R)-
2-pentadecanoyloxy-3-tetradecanoyloxy-propoxy]phosphinic acid
448427 [(2S)-3-[[(2R)-3-decanoyloxy-2-hexanoyloxy-propoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]-[(2R)-3-te
tradecanoyloxy-2-undecanoyloxy-propoxy]phosphinic acid
449005 [(2R)-2,3-dioctadecanoyloxypropoxy]-[3-[[(2R)-2,3-dioctadecanoyloxypropoxy]-hydroxy-phosphoryl]oxy-2-hyd
roxy-propoxy]phosphinic acid
3082998 3-[2,3-bis(3,7,11,15-tetramethylhexadecanoyloxy)propoxy-hydroxy-phosphoryl]oxypropoxyphosphonic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 4759 | Additional Members: 4 | Rows returned: 3
LOPAC 01208 0
LOPAC 01137 0
SPE01503629 0

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