Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

Thio-NADP sodium

Unique Identifier:LOPAC 00471
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H27N7NaO16P3S
Molecular Weight:754.239 g/mol
X log p:6.348  (online calculus)
Lipinksi Failures3
TPSA257.56
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:22
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)=S)OC1n1cnc2c(N)ncnc12
Class:Intracellular Calcium
Action:Blocker
Selectivity:NAADP-induced
Generic_name:TATP
Chemical_iupac_name:7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Drug_type:Experimental
Drugbank_id:EXPT03005
Drug_category:Nad inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7306±0.0263455
Normalized OD Score: sc h 1.0012±0.0123648
Z-Score: 0.0820±0.480234
p-Value: 0.751034
Z-Factor: -8.08174
Fitness Defect: 0.2863
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|G9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04751874999999998±0.00095
Plate DMSO Control (-):0.7299000000000002±0.02601
Plate Z-Factor:0.8738
png
ps
pdf

DBLink | Rows returned: 81 2 Next >> 
3080717 (2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hyd
roxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(5-carbamothioylpyridin-1-yl)-4-hydroxy-oxolan-3-ola
te
3080718 [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamothioylpyridin-1-yl)-3,4-dihydroxy-o
xolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho
nic acid
3370245 [2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamothioylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-pho
sphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
3370246 [2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamothioylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-p
hosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
3867238 [5-(6-aminopurin-9-yl)-3-hydroxy-4-(hydroxy-oxido-phosphoryl)oxy-oxolan-2-yl]methoxy-[[5-(5-carbamothioy
lpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid
5289437 [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamothioylpyridin-1-yl)-3,4-dihydroxy-o
xolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphoni
c acid

internal high similarity DBLink | Rows returned: 1
SPE01503902 0.9066

active | Cluster 306 | Additional Members: 11 | Rows returned: 0
Service provided by the Mike Tyers Laboratory