Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02075"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| rdfs:label |
"(1s)-1(9-Deazahypoxanthin-9yl)1,4-Dideoxy-1,4-Imino-D-Ribitol-5-Phosphate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine.
Pyrrolopyrimidines
Organic Compounds
Heterocyclic Compounds
Pyrrolopyrimidines
Pyrimidones
Substituted Pyrroles
Organic Phosphoric Acids
Organophosphate Esters
Pyrrolidines
Secondary Alcohols
1,2-Diols
1,2-Aminoalcohols
Dialkylamines
Polyamines
pyrimidone
organic phosphate
substituted pyrrole
phosphoric acid ester
pyrimidine
pyrrolidine
pyrrole
1,2-diol
1,2-aminoalcohol
secondary alcohol
polyamine
secondary amine
secondary aliphatic amine
amine
alcohol
organonitrogen compound
logP
-1.9
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
5.19e+00 g/l
ALOGPS
logP
-4.4
ChemAxon
IUPAC Name
{[(2S,3S,4S,5S)-3,4-dihydroxy-5-{4-oxopyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,3S,4S,5S)-3,4-dihydroxy-5-{4-oxopyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
345.2252
ChemAxon
Monoisotopic Weight
345.060010334
ChemAxon
SMILES
O[C@H]1[C@H](COP(O)(O)=O)N[C@H]([C@@H]1O)c1cnc2c1N=CNC2=O
ChemAxon
Molecular Formula
C11H14N4O7P
ChemAxon
InChI
InChI=1S/C11H14N4O7P/c16-9-5(2-22-23(19,20)21)15-7(10(9)17)4-1-12-8-6(4)13-3-14-11(8)18/h1,3,5,7,9-10,15-17H,2H2,(H,13,14,18)(H2,19,20,21)/t5-,7-,9-,10-/m0/s1
ChemAxon
InChIKey
InChIKey=BNBLIPPJYHOAER-YNAXYJCJSA-N
ChemAxon
Polar Surface Area (PSA)
177.89
ChemAxon
Refractivity
72.38
ChemAxon
Polarizability
30.21
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
6
ChemAxon
pKa (strongest acidic)
1.5
ChemAxon
pKa (strongest basic)
8.68
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936297
PubChem Substance
46507599
PDB
IRP
BE0001516
Hypoxanthine-guanine-xanthine phosphoribosyltransferase
Plasmodium falciparum (isolate FCR-3 / Gambia)
# 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
Hypoxanthine-guanine-xanthine phosphoribosyltransferase
Nucleotide transport and metabolism
Works with guanine, hypoxanthine and xanthine
LACZ
Cytoplasm
None
7.49
26349.0
Plasmodium falciparum (isolate FCR-3 / Gambia)
GenBank Gene Database
X16279
GenBank Protein Database
9914
UniProtKB
P20035
UniProt Accession
HGXR_PLAFG
EC 2.4.2.-
HGPRT
HGXPRT
HGXPRTase
>Hypoxanthine-guanine-xanthine phosphoribosyltransferase
MPIPNNPGAGENAFDPVFVNDDDGYDLDSFMIPAHYKKYLTKVLVPNGVIKNRIEKLAYD
IKKVYNNEEFHILCLLKGSRGFFTALLKHLSRIHNYSAVETSKPLFGEHYVRVKSYCNDQ
STGTLEIVSEDLSCLKGKHVLIVEDIIDTGKTLVKFCEYLKKFEIKTVAIACLFIKRTPL
WNGFKADFVGFSIPDHFVVGYSLDYNEIFRDLDHCCLVNDEGKKKYKATSL
>696 bp
ATGCCAATACCAAATAATCCAGGAGCTGGTGAAAATGCCTTTGATCCCGTTTTCGTAAAC
GATGACGATGGTTATGACCTTGATTCTTTTATGATCCCTGCACATTATAAAAAATATCTT
ACCAAGGTCTTAGTTCCAAATGGTGTCATAAAAAACCGTATTGAGAAATTGGCTTATGAT
ATTAAAAAGGTGTACAACAATGAAGAGTTTCATATTCTTTGTTTGTTGAAAGGTTCTCGT
GGTTTTTTCACTGCTCTCTTAAAGCATTTAAGTAGAATACATAATTATAGTGCCGTTGAG
ACGTCCAAACCATTATTTGGAGAACACTACGTACGTGTGAAATCCTATTGTAATGACCAA
TCAACAGGTACATTAGAAATTGTAAGTGAAGATTTATCTTGTTTAAAAGGAAAACATGTA
TTAATTGTTGAAGATATTATTGATACTGGTAAAACATTAGTAAAGTTTTGTGAATACTTA
AAGAAATTTGAAATAAAAACCGTTGCCATCGCTTGTCTTTTTATTAAAAGAACACCTTTG
TGGAATGGTTTTAAAGCTGATTTCGTTGGATTCTCAATTCCTGATCACTTTGTTGTTGGT
TATAGTTTAGACTATAATGAAATTTTCAGAGATCTTGACCATTGTTGTTTGGTTAATGAT
GAGGGAAAAAAGAAATATAAAGCAACTTCATTATAA
PF00156
Pribosyltran
component
cell
component
intracellular
component
cytoplasm
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
hypoxanthine phosphoribosyltransferase activity
function
catalytic activity
process
metabolism
process
purine salvage
process
cellular metabolism
process
purine ribonucleoside salvage
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
nucleoside metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object