Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02934"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"9-(6-Deoxy-Alpha-L-Talofuranosyl)-6-Methylpurine"
|
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Purines and Purine Derivatives
N-substituted Imidazoles
Pyrimidines and Pyrimidine Derivatives
Tetrahydrofurans
Oxolanes
Secondary Alcohols
1,2-Diols
Ethers
Polyamines
purine
imidazopyrimidine
n-substituted imidazole
pyrimidine
oxolane
azole
imidazole
tetrahydrofuran
secondary alcohol
1,2-diol
polyamine
ether
alcohol
organonitrogen compound
amine
logP
-0.34
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
8.73e+00 g/l
ALOGPS
logP
-1.3
ChemAxon
IUPAC Name
(2S,3R,4R,5R)-2-[(1S)-1-hydroxyethyl]-5-(6-methyl-9H-purin-9-yl)oxolane-3,4-diol
ChemAxon
Traditional IUPAC Name
(2S,3R,4R,5R)-2-[(1S)-1-hydroxyethyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol
ChemAxon
Molecular Weight
280.2798
ChemAxon
Monoisotopic Weight
280.11715502
ChemAxon
SMILES
C[C@H](O)[C@@H]1O[C@H]([C@H](O)[C@H]1O)N1C=NC2=C1N=CN=C2C
ChemAxon
Molecular Formula
C12H16N4O4
ChemAxon
InChI
InChI=1S/C12H16N4O4/c1-5-7-11(14-3-13-5)16(4-15-7)12-9(19)8(18)10(20-12)6(2)17/h3-4,6,8-10,12,17-19H,1-2H3/t6-,8+,9+,10-,12+/m0/s1
ChemAxon
InChIKey
InChIKey=XJZDIUOABWMPLZ-DLOONRPBSA-N
ChemAxon
Polar Surface Area (PSA)
113.52
ChemAxon
Refractivity
67.19
ChemAxon
Polarizability
27.58
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
12.45
ChemAxon
pKa (strongest basic)
4.22
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936531
PubChem Substance
46506120
PDB
TAL
BE0002011
Purine nucleoside phosphorylase DeoD-type
Escherichia coli (strain K12)
# 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
unknown
Purine nucleoside phosphorylase DeoD-type
Nucleotide transport and metabolism
Cleavage of guanosine or inosine to respective bases and sugar-1-phosphate molecules
deoD
None
5.35
25950.0
Escherichia coli (strain K12)
GenBank Gene Database
M60917
GenBank Protein Database
147309
UniProtKB
P0ABP8
UniProt Accession
DEOD_ECOLI
EC 2.4.2.1
Inosine phosphorylase
PNP
>Purine nucleoside phosphorylase deoD-type
MATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISV
MGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIR
FKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPDGEMFDVMEKYGILGVE
MEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESVLLGDKE
>720 bp
ATGGCTACCCCACACATTAATGCAGAAATGGGCGATTTCGCTGACGTAGTTTTGATGCCA
GGCGACCCGCTGCGTGCGAAGTATATTGCTGAAACTTTCCTTGAAGATGCCCGTGAAGTG
AACAACGTTCGCGGTATGCTGGGCTTCACCGGTACTTACAAAGGCCGCAAAATTTCCGTA
ATGGGTCACGGTATGGGTATCCCGTCCTGCTCCATCTACACCAAAGAACTGATCACCGAT
TTCGGCGTGAAGAAAATTATCCGCGTGGGTTCCTGTGGCGCAGTTCTGCCGCACGTAAAA
CTGCGCGACGTCGTTATCGGTATGGGTGCCTGCACCGATTCCAAAGTTAACCGCATCCGT
TTTAAAGACCATGACTTTGCCGCTATCGCTGACTTCGACATGGTGCGTAACGCAGTAGAT
GCAGCTAAAGCACTGGGTATTGATGCTCGCGTGGGTAACCTGTTCTCCGCTGACCTGTTC
TACTCTCCGGACGGCGAAATGTTCGACGTGATGGAAAAATACGGCATTCTCGGCGTGGAA
ATGGAAGCGGCTGGTATCTACGGCGTCGCTGCAGAATTTGGCGCGAAAGCCCTGACCATC
TGCACCGTATCTGACCACATCCGCACTCACGAGCAGACCACTGCCGCTGAGCGTCAGACT
ACCTTCAACGACATGATCAAAATCGCACTGGAATCCGTTCTGCTGGGCGATAAAGAGTAA
PF01048
PNP_UDP_1
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
purine-nucleoside phosphorylase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleoside metabolism
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object