Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02883"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the pyrimidine deoxyribonucleotides. These are pyrimidine nucleotides where the purine moiety is linked to a ribose lacking an hydroxyl group at one or more positions.
Pyrimidine Deoxyribonucleotides
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine 2',3'-dideoxyribonucleoside Monophosphates
Pyrimidine Nucleosides and Analogues
Aminopyrimidines and Derivatives
Pyrimidones
Hydropyrimidines
Primary Aromatic Amines
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Ethers
Polyamines
aminopyrimidine
pyrimidone
primary aromatic amine
organic phosphate
phosphoric acid ester
hydropyrimidine
pyrimidine
tetrahydrofuran
oxolane
polyamine
ether
amine
primary amine
organonitrogen compound
logP
-1.7
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
1.12e+01 g/l
ALOGPS
logP
-2
ChemAxon
IUPAC Name
{[(2S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
ChemAxon
Traditional IUPAC Name
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid
ChemAxon
Molecular Weight
291.1977
ChemAxon
Monoisotopic Weight
291.062021707
ChemAxon
SMILES
NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](COP(O)(O)=O)O1
ChemAxon
Molecular Formula
C9H14N3O6P
ChemAxon
InChI
InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m0/s1
ChemAxon
InChIKey
InChIKey=RAJMXAZJKUGYGW-POYBYMJQSA-N
ChemAxon
Polar Surface Area (PSA)
134.68
ChemAxon
Refractivity
63.11
ChemAxon
Polarizability
25.25
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.34
ChemAxon
pKa (strongest basic)
0.011
ChemAxon
Physiological Charge
-2
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
446696
PubChem Substance
46509107
PDB
DOC
BE0001600
Cytidylate kinase
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
Cytidylate kinase
Nucleotide transport and metabolism
ATP, dATP, and GTP are equally effective as phosphate donors. CMP and dCMP are the best phosphate acceptors
cmk
Cytoplasm
None
5.65
24747.0
Escherichia coli (strain K12)
GenBank Gene Database
X00785
GenBank Protein Database
42839
UniProtKB
P0A6I0
UniProt Accession
KCY_ECOLI
CK
CMP kinase
Cytidine monophosphate kinase
EC 2.7.4.14
p25
Protein mssA
>Cytidylate kinase
MTAIAPVITIDGPSGAGKGTLCKAMAEALQWHLLDSGAIYRVLALAALHHHVDVASEDAL
VPLASHLDVRFVSTNGNLEVILEGEDVSGEIRTQEVANAASQVAAFPRVREALLRRQRAF
RELPGLIADGRDMGTVVFPDAPVKIFLDASSEERAHRRMLQLQEKGFSVNFERLLAEIKE
RDDRDRNRAVAPLVPAADALVLDSTTLSIEQVIEKALQYARQKLALA
>684 bp
ATGACGGCAATTGCCCCGGTTATTACCATTGATGGCCCAAGCGGTGCAGGGAAAGGCACC
TTGTGTAAGGCTATGGCGGAAGCGTTGCAATGGCATCTGCTGGACTCGGGTGCAATTTAT
CGCGTACTGGCATTGGCGGCATTACATCACCATGTTGATGTTGCGTCGGAAGATGCGCTG
GTACCGCTGGCATCCCATCTGGATGTACGTTTTGTGTCGACCAATGGCAATCTGGAAGTG
ATCCTCGAAGGGGAAGATGTCAGCGGCGAAATTCGTACTCAGGAAGTGGCGAATGCAGCT
TCACAAGTCGCGGCATTCCCACGCGTTCGTGAAGCATTATTGCGTCGCCAACGCGCGTTT
CGCGAATTACCAGGTCTGATTGCCGATGGCCGCGACATGGGAACGGTGGTATTCCCTGAT
GCACCAGTGAAAATTTTCCTTGACGCCTCCTCGGAAGAACGTGCGCATCGCCGCATGCTA
CAGTTGCAGGTGAAGGGCTTTAGTGTTAACTTTGAGCGCCTTTTGGCCGAGATCAAAGAA
CGCGACGACCGCGATCGTAACCGAGCGGTAGCGCCACTGGTTCCGGCAGCCGATGCTTTA
GTGTTGGATTCCACCACCTTAAGCATTGAGCAAGTGATTGAAAAAGCGCTACAATACGCG
CGCCAGAAATTGGCTCTCGCATAA
PF02224
Cytidylate_kin
function
purine nucleotide binding
function
adenyl nucleotide binding
function
transferase activity
function
ATP binding
function
transferase activity, transferring phosphorus-containing groups
function
binding
function
kinase activity
function
catalytic activity
function
nucleobase, nucleoside, nucleotide kinase activity
function
nucleotide kinase activity
function
cytidylate kinase activity
function
nucleotide binding
process
physiological process
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
metabolism
process
cellular metabolism
"
|
| rdfs:label |
"2',3'-Dideoxycytidine-5'-Monophosphate"
|
| rdf:type | |
| 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