Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02189"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the purine 2',3'-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking an hydroxyl group at positions 2 and 3.
Purine 2',3'-dideoxyribonucleoside Triphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Organic Pyrophosphates
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Organophosphate Esters
Organic Phosphoric Acids
N-substituted Imidazoles
Primary Aromatic Amines
Oxolanes
Tetrahydrofurans
Ethers
Polyamines
organic pyrophosphate
imidazopyrimidine
purine
aminopyrimidine
phosphoric acid ester
primary aromatic amine
n-substituted imidazole
organic phosphate
pyrimidine
imidazole
azole
tetrahydrofuran
oxolane
polyamine
ether
primary amine
organonitrogen compound
amine
logP
-0.44
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
3.05e+00 g/l
ALOGPS
logP
-4.6
ChemAxon
IUPAC Name
({[({[(2S,5R)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
ChemAxon
Traditional IUPAC Name
({[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
ChemAxon
Molecular Weight
475.1822
ChemAxon
Monoisotopic Weight
475.005915915
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1
ChemAxon
Molecular Formula
C10H16N5O11P3
ChemAxon
InChI
InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
ChemAxon
InChIKey
InChIKey=OAKPWEUQDVLTCN-NKWVEPMBSA-N
ChemAxon
Polar Surface Area (PSA)
238.67
ChemAxon
Refractivity
93.51
ChemAxon
Polarizability
36.83
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
12
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
0.9
ChemAxon
pKa (strongest basic)
5.01
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
65304
PubChem Substance
46506011
ChemSpider
1416
BindingDB
50164644
PDB
DAD
IUPHAR
1709
Guide to Pharmacology
1709
BE0004486
DNA nucleotidylexotransferase
Human
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
DNA nucleotidylexotransferase
DNTT
Human
UniProtKB
P04053
UniProt Accession
TDT_HUMAN
"
|
| rdfs:label |
"2',3'-Dideoxyadenosine-5'-Triphosphate"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object