Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02573"
| Predicate | Value (sorted: none) |
|---|---|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking an hydroxyl group at position 2.
Purine 2'-deoxyribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pyrimidine Nucleosides and Analogues
Other Disaccharides
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
Pyrimidones
N-substituted Imidazoles
Primary Aromatic Amines
Organic Phosphoric Acids
Organophosphate Esters
Hydropyrimidines
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Primary Alcohols
Ethers
Polyamines
pentose disaccharide
disaccharide
purine
imidazopyrimidine
aminopyrimidine
pyrimidone
pyrimidine
n-substituted imidazole
hydropyrimidine
organic phosphate
phosphoric acid ester
primary aromatic amine
oxolane
tetrahydrofuran
azole
imidazole
secondary alcohol
primary alcohol
ether
polyamine
organonitrogen compound
primary amine
alcohol
amine
logP
-2.3
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
2.42e+00 g/l
ALOGPS
logP
-4.8
ChemAxon
IUPAC Name
{[(2R,3S,5S)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2S,3R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid
ChemAxon
Traditional IUPAC Name
[(2R,3S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxyphosphinic acid
ChemAxon
Molecular Weight
540.4238
ChemAxon
Monoisotopic Weight
540.14821095
ChemAxon
SMILES
NC1=NC(=O)N(C=C1)[C@@H]1C[C@H](O[P@@](O)(=O)OC[C@@H]2O[C@H](C[C@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](CO)O1
ChemAxon
Molecular Formula
C19H25N8O9P
ChemAxon
InChI
InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10+,11-,12+,14-,15+/m1/s1
ChemAxon
InChIKey
InChIKey=LYWWDKIADIGKTH-NJTCAMEISA-N
ChemAxon
Polar Surface Area (PSA)
242.99
ChemAxon
Refractivity
121.81
ChemAxon
Polarizability
50.25
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
5
ChemAxon
pKa (strongest acidic)
1.86
ChemAxon
pKa (strongest basic)
5
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
5
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936428
PubChem Substance
46508944
ChemSpider
3335984
PDB
CPA
BE0003317
Ribonuclease pancreatic
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
Ribonuclease pancreatic
Involved in nucleic acid binding
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single stranded and double stranded RNA
RNASE1
14q11.2
Secreted protein
None
8.94
17644.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:10044
GenAtlas
RNASE1
GenBank Gene Database
D26129
UniProtKB
P07998
UniProt Accession
RNAS1_HUMAN
EC 3.1.27.5
HP-RNase
RIB-1
Ribonuclease pancreatic precursor
RNase 1
RNase A
RNase UpI-1
>Ribonuclease pancreatic
MALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSSSTYCNQMMRR
RNMTQGRCKPVNTFVHEPLVDVQNVCFQEKVTCKNGQGNCYKSNSSMHITDCRLTNGSRY
PNCAYRTSPKERHIIVACEGSPYVPVHFDASVEDST
>471 bp
ATGGCTCTGGAGAAGTCTCTTGTCCGGCTCCTTCTGCTTGTCCTGATACTGCTGGTGCTG
GGCTGGGTCCAGCCTTCCCTGGGCAAGGAATCCCGGGCCAAGAAATTCCAGCGGCAGCAT
ATGGACTCAGACAGTTCCCCCAGCAGCAGCTCCACCTACTGTAACCAAATGATGAGGCGC
CGGAATATGACACAGGGGCGGTGCAAACCAGTGAACACCTTTGTGCACGAGCCCCTGGTA
GATGTCCAGAATGTCTGTTTCCAGGAAAAGGTCACCTGCAAGAACGGGCAGGGCAACTGC
TACAAGAGCAACTCCAGCATGCACATCACAGACTGCCGCCTGACAAACGGCTCCAGGTAC
CCCAACTGTGCATACCGGACCAGCCCGAAGGAGAGACACATCATTGTGGCCTGTGAAGGG
AGCCCATATGTGCCAGTCCACTTTGATGCTTCTGTGGAGGACTCTACCTAA
PF00074
RnaseA
function
hydrolase activity
function
nucleic acid binding
function
hydrolase activity, acting on ester bonds
function
nuclease activity
function
endonuclease activity
function
endoribonuclease activity
function
endoribonuclease activity, producing 3'-phosphomonoesters
function
pancreatic ribonuclease activity
function
binding
function
catalytic activity
"
|
| rdfs:label |
"2'-Deoxycytidine-2'-Deoxyadenosine-3',5'-Monophosphate"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object