Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03663"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol"
|
| rdf:type | |
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one.
Hypoxanthines
Organic Compounds
Heterocyclic Compounds
Imidazopyrimidines
Purines and Purine Derivatives
Alkyl Aryl Ethers
Pyrimidines and Pyrimidine Derivatives
Primary Aromatic Amines
Imidazoles
Ketones
Enolates
Polyamines
Aldehydes
alkyl aryl ether
pyrimidine
primary aromatic amine
imidazole
azole
ketone
enolate
polyamine
ether
organonitrogen compound
amine
carbonyl group
primary amine
aldehyde
logP
0.62
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
1.58e+00 g/l
ALOGPS
logP
1
ChemAxon
IUPAC Name
1-[(2-amino-7H-purin-6-yl)oxy]-3-methylbutan-2-one
ChemAxon
Traditional IUPAC Name
1-[(2-amino-7H-purin-6-yl)oxy]-3-methylbutan-2-one
ChemAxon
Molecular Weight
235.2425
ChemAxon
Monoisotopic Weight
235.106924685
ChemAxon
SMILES
CC(C)C(=O)COC1=NC(N)=NC2=C1NC=N2
ChemAxon
Molecular Formula
C10H13N5O2
ChemAxon
InChI
InChI=1S/C10H13N5O2/c1-5(2)6(16)3-17-9-7-8(13-4-12-7)14-10(11)15-9/h4-5H,3H2,1-2H3,(H3,11,12,13,14,15)
ChemAxon
InChIKey
InChIKey=BEXUQVHWMLPYKY-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
106.78
ChemAxon
Refractivity
63.47
ChemAxon
Polarizability
23.53
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
10.19
ChemAxon
pKa (strongest basic)
3.08
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
445940
PubChem Substance
46507551
ChemSpider
393421
BindingDB
5482
PDB
MBP
BE0001072
Cyclin-dependent kinase 2
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
Cyclin-dependent kinase 2
Involved in protein kinase activity
ATP + a protein = ADP + a phosphoprotein
CDK2deltaT
None
9.76
30061.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:1771
GenAtlas
CDK2deltaT
GeneCards
CDK2deltaT
GenBank Gene Database
AB012305
GenBank Protein Database
3551191
UniProtKB
P24941
UniProt Accession
CDK2_HUMAN
EC 2.7.11.22
p33 protein kinase
>Cell division protein kinase 2
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNH
PNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHS
HRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYY
STAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSF
PKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
>897 bp
ATGGAGAACTTCCAAAAGGTGGAAAAGATCGGAGAGGGCACGTACGGAGTTGTGTACAAA
GCCAGAAACAAGTTGACGGGAGAGGTGGTGGCGCTTAAGAAAATCCGCCTGGACACTGAG
ACTGAGGGTGTGCCCAGTACTGCCATCCGAGAGATCTCTCTGCTTAAGGAGCTTAACCAT
CCTAATATTGTCAAGCTGCTGGATGTCATTCACACAGAAAATAAACTCTACCTGGTTTTT
GAATTTCTGCACCAAGATCTCAAGAAATTCATGGATGCCTCTGCTCTCACTGGCATTCCT
CTTCCCCTCATCAAGAGCTATCTGTTCCAGCTGCTCCAGGGCCTAGCTTTCTGCCATTCT
CATCGGGTCCTCCACCGAGACCTTAAACCTCAGAATCTGCTTATTAACACAGAGGGGGCC
ATCAAGCTAGCAGACTTTGGACTAGCCAGAGCTTTTGGAGTCCCTGTTCGTACTTACACC
CATGAGGTGGTGACCCTGTGGTACCGAGCTCCTGAAATCCTCCTGGGCTCGAAATATTAT
TCCACAGCTGTGGACATCTGGAGCCTGGGCTGCATCTTTGCTGAGATGGTGACTCGCCGG
GCCCTGTTCCCTGGAGATTCTGAGATTGACCAGCTCTTCCGGATCTTTCGGACTCTGGGG
ACCCCAGATGAGGTGGTGTGGCCAGGAGTTACTTCTATGCCTGATTACAAGCCAAGTTTC
CCCAAGTGGGCCCGGCAAGATTTTAGTAAAGTTGTACCTCCCCTGGATGAAGATGGACGG
AGCTTGTTATCGCAAATGCTGCACTACGACCCTAACAAGCGGATTTCGGCCAAGGCAGCC
CTGGCTCACCCTTTCTTCCAGGATGTGACCAAGCCAGTACCCCATCTTCGACTCTGA
PF00069
Pkinase
function
catalytic activity
function
transferase activity, transferring phosphorus-containing groups
function
kinase activity
function
protein kinase activity
function
protein serine/threonine kinase activity
function
nucleotide binding
function
purine nucleotide binding
function
adenyl nucleotide binding
function
binding
function
transferase activity
function
ATP binding
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
process
protein modification
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object