Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02568"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Peldesine"
|
| 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
Primary Aromatic Amines
Pyridines and Derivatives
Polyamines
pyrimidone
primary aromatic amine
substituted pyrrole
pyrimidine
pyridine
pyrrole
polyamine
amine
primary amine
organonitrogen compound
2-Amino-3,5-dihydro-7-(3-pyridylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one
4H-Pyrrolo(3,2-d)pyrimidin-4-one, 2-amino-3,5-dihydro-7-(3-pyridinylmethyl)-
Peldesine
PELDESINE
logP
0.54
ALOGPS
logS
-3.3
ALOGPS
Water Solubility
1.21e-01 g/l
ALOGPS
logP
0.89
ChemAxon
IUPAC Name
2-amino-7-(pyridin-3-ylmethyl)-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
ChemAxon
Traditional IUPAC Name
peldesine
ChemAxon
Molecular Weight
241.2486
ChemAxon
Monoisotopic Weight
241.096359999
ChemAxon
SMILES
NC1=NC(=O)C2=C(N1)C(CC1=CN=CC=C1)=CN2
ChemAxon
Molecular Formula
C12H11N5O
ChemAxon
InChI
InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)
ChemAxon
InChIKey
InChIKey=DOHVAKFYAHLCJP-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
96.16
ChemAxon
Refractivity
67.97
ChemAxon
Polarizability
23.91
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
10.49
ChemAxon
pKa (strongest basic)
5.39
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
60817
PubChem Substance
46505332
BindingDB
50039542
PDB
BC3
BE0000250
Purine nucleoside phosphorylase
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
unknown
Purine nucleoside phosphorylase
Nucleotide transport and metabolism
PNP
14q13.1
None
6.95
32118.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7892
GenAtlas
NP
GeneCards
NP
GenBank Gene Database
X00737
GenBank Protein Database
35565
UniProtKB
P00491
UniProt Accession
PNPH_HUMAN
EC 2.4.2.1
Inosine phosphorylase
PNP
>Purine nucleoside phosphorylase
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRST
VPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGL
NPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQ
MGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSL
ITNKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS
>870 bp
ATGGAGAACGGATACACCTATGAAGATTATAAGAACACTGCAGAATGGCTTCTGTCTCAT
ACTAAGCACCGACCTCAAGTTGCAATAATCTGTGGTTCTGGATTAGGAGGTCTGACTGAT
AAATTAACTCAGGCCCAGATCTTTGACTACAGTGAAATCCCCAACTTTCCTCGAAGTACA
GTGCCAGGTCATGCTGGCCGACTGGTGTTTGGGTTCCTGAATGGCAGGGCCTGTGTGATG
ATGCAGGGCAGGTTCCACATGTATGAAGGGTACCCACTCTGGAAGGTGACATTCCCAGTG
AGGGTTTTCCACCTTCTGGGTGTGGACACCCTGGTAGTCACCAATGCAGCAGGAGGGCTG
AACCCCAAGTTTGAGGTTGGAGATATCATGCTGATCCGTGACCATATCAACCTACCTGGT
TTCAGTGGTCAGAACCCTCTCAGAGGGCCCAATGATGAAAGGTTTGGAGATCGTTTCCCT
GCCATGTCTGATGCCTACGACCGGACTATGAGGCAGAGGGCTCTCAGTACCTGGAAACAA
ATGGGGGAGCAACGTGAGCTACAGGAAGGCACCTATGTGATGGTGGCAGGCCCCAGCTTT
GAGACTGTGGCAGAATGTCGTGTGCTGCAGAAGCTGGGAGCAGACGCTGTTGGCATGAGT
ACAGTACCAGAAGTTATCGTTGCACGGCACTGTGGACTTCGAGTCTTTGGCTTCTCACTC
ATCACTAACAAGGTCATCATGGATTATGAAAGCCTGGAGAAGGCCAACCATGAAGAAGTC
TTAGCAGCTGGCAAACAAGCTGCACAGAAATTGGAACAGTTTGTCTCCATTCTTATGGCC
AGCATTCCACTCCCTGACAAAGCCAGTTGA
PF00896
Mtap_PNP
function
transferase activity, transferring pentosyl groups
function
purine-nucleoside phosphorylase activity
function
catalytic activity
function
transferase activity
function
transferase activity, transferring glycosyl groups
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
physiological process
process
metabolism
process
cellular metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object