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Compound Information
SONAR Target prediction
Name:
SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
Unique Identifier:
SPE01503902
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C21H27N7NaO17P3
Molecular Weight:
738.173 g/mol
X log p:
6.741
(online calculus)
Lipinksi Failures
3
TPSA
242.54
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
23
Rotatable Bond Count:
13
Canonical Smiles:
[Na+].[O-]P(O)(=O)OC1C(O)C(COP(O)(=O)OP([O-])(=O)OCC2OC(C(O)C2O)[n+]2c
ccc(c2)C(N)=O)OC1n1cnc2c(N)ncnc12
Therapeutics:
cofactor in aryl & steroidal hydroxylation
Generic_name:
2--MONOPHOSPHOADENOSINE 5--DIPHOSPHORIBO
Chemical_iupac_name:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Drug_type:
Experimental
Drugbank_id:
EXPT02293
Drug_category:
Aldose Reductase inhibitor
Organisms_affected:
-1
Found: 101 nonactive as graph:
single
|
with analogs
[1]
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[101]
Species:
4932
Condition:
TUB3
Replicates:
2
Raw OD Value:
r
im
0.6789±0.000919239
Normalized OD Score:
sc
h
0.9907±0.00287473
Z-Score:
-0.5515±0.158691
p-Value:
0.58369
Z-Factor:
-21.5939
Fitness Defect:
0.5384
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
17|F2
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
26.60 Celcius
Date:
2007-10-12 YYYY-MM-DD
Plate CH Control (+):
0.040575±0.00055
Plate DMSO Control (-):
0.6817±0.02277
Plate Z-Factor:
0.9374
png
ps
pdf
DBLink | Rows returned: 25
<< Back
1
2
3
4
5
15938972
1-[(2R,3R,4S,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methox
y-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridine-5-carboxamide
internal high similarity DBLink | Rows returned: 2
LOPAC 00471
0.9066
SPE01500419
0.9714
nonactive
| Cluster 306 | Additional Members: 11 | Rows returned: 10
1
2
Next >>
LOPAC 00455
0.491666666666667
LOPAC 00029
0.490384615384615
LOPAC 00702
0.477477477477477
LOPAC 01337
0.470588235294118
LOPAC 00015
0.466666666666667
LOPAC 00041
0.315789473684211
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