Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02222"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
Purines and Purine Derivatives
Organic Compounds
Heterocyclic Compounds
Imidazopyrimidines
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Primary Aromatic Amines
N-substituted Imidazoles
Organic Phosphonic Acids and Derivatives
Ethers
Polyamines
aminopyrimidine
n-substituted imidazole
pyrimidine
primary aromatic amine
azole
phosphonic acid derivative
imidazole
ether
polyamine
primary amine
amine
organonitrogen compound
logP
-0.49
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
2.72e+00 g/l
ALOGPS
logP
-3.6
ChemAxon
IUPAC Name
({[(2S)-1-(2,6-diamino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate
ChemAxon
Traditional IUPAC Name
{[(2S)-1-(2,6-diaminopurin-9-yl)propan-2-yl]oxy}methylphosphonate
ChemAxon
Molecular Weight
300.2111
ChemAxon
Monoisotopic Weight
300.073589446
ChemAxon
SMILES
C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O
ChemAxon
Molecular Formula
C9H13N6O4P
ChemAxon
InChI
InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1
ChemAxon
InChIKey
InChIKey=LWEKFDHXJHJYGB-YFKPBYRVSA-L
ChemAxon
Polar Surface Area (PSA)
168.06
ChemAxon
Refractivity
69.94
ChemAxon
Polarizability
26.83
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
9
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
1.36
ChemAxon
pKa (strongest basic)
6.01
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5287571
PubChem Substance
46506418
ChemSpider
21239542
PDB
9PP
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
# 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
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/guidelines/drugbank_small.nt
The resource does not appear as an object