Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01790"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the purine nucleosides and analogues. These are compounds comprising a purine base attached to a sugar.
Purine Nucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Purines and Purine Derivatives
Aminopyrimidines and Derivatives
N-substituted Imidazoles
Primary Aromatic Amines
Tetrahydrofurans
Oxolanes
Organic Phosphonic Acids and Derivatives
Secondary Alcohols
Ethers
Polyamines
purine
imidazopyrimidine
aminopyrimidine
primary aromatic amine
pyrimidine
n-substituted imidazole
tetrahydrofuran
oxolane
azole
imidazole
phosphonic acid derivative
secondary alcohol
polyamine
ether
organonitrogen compound
primary amine
alcohol
amine
logP
-0.93
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
1.84e+00 g/l
ALOGPS
logP
-2.9
ChemAxon
IUPAC Name
(2S,4aR,6S,7S,7aR)-6-(6-amino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinine-2-thione
ChemAxon
Traditional IUPAC Name
(2S,4aR,6S,7S,7aR)-6-(6-aminopurin-9-yl)-2,7-dihydroxy-tetrahydro-4H-1,3,5,2$l^{5}-furo[3,2-d][1,3,2$l^{5}]dioxaphosphinine-2-thione
ChemAxon
Molecular Weight
345.272
ChemAxon
Monoisotopic Weight
345.029675721
ChemAxon
SMILES
NC1=NC=NC2=C1N=CN2[C@H]1O[C@@H]2CO[P@](O)(=S)O[C@@H]2[C@@H]1O
ChemAxon
Molecular Formula
C10H12N5O5PS
ChemAxon
InChI
InChI=1S/C10H12N5O5PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13)/t4-,6+,7+,10+,21+/m1/s1
ChemAxon
InChIKey
InChIKey=SMPNJFHAPJOHPP-BTQOAJACSA-N
ChemAxon
Polar Surface Area (PSA)
137.77
ChemAxon
Refractivity
78.28
ChemAxon
Polarizability
30.53
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
1.89
ChemAxon
pKa (strongest basic)
4.99
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
46936216
PubChem Substance
46504971
ChemSpider
4932072
PDB
RP1
BE0003425
cAMP-dependent protein kinase type I-alpha regulatory subunit
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
cAMP-dependent protein kinase type I-alpha regulatory subunit
Involved in cAMP-dependent protein kinase regulator activity
PRKAR1A
17q23-q24
None
5.0
42982.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9388
GenAtlas
PRKAR1A
GenBank Gene Database
M18468
UniProtKB
P10644
UniProt Accession
KAP0_HUMAN
Tissue- specific extinguisher 1
TSE1
>cAMP-dependent protein kinase type I-alpha regulatory subunit
MESGSTAASEEARSLRECELYVQKHNIQALLKDSIVQLCTARPERPMAFLREYFERLEKE
EAKQIQNLQKAGTRTDSREDEISPPPPNPVVKGRRRRGAISAEVYTEEDAASYVRKVIPK
DYKTMAALAKAIEKNVLFSHLDDNERSDIFDAMFSVSFIAGETVIQQGDEGDNFYVIDQG
ETDVYVNNEWATSVGEGGSFGELALIYGTPRAATVKAKTNVKLWGIDRDSYRRILMGSTL
RKRKMYEEFLSKVSILESLDKWERLTVADALEPVQFEDGQKIVVQGEPGDEFFIILEGSA
AVLQRRSENEEFVEVGRLGPSDYFGEIALLMNRPRAATVVARGPLKCVKLDRPRFERVLG
PCSDILKRNIQQYNSFVSLSV
>1146 bp
ATGGAGTCTGGCAGTACCGCCGCCAGTGAGGAGGCACGCAGCCTTCGAGAATGTGAGCTC
TACGTCCAGAAGCATAACATTCAAGCGCTGCTCAAAGATTCTATTGTGCAGTTGTGCACT
GCTCGACCTGAGAGACCCATGGCATTCCTCAGGGAATACTTTGAGAGGTTGGAGAAGGAG
GAGGCAAAACAGATTCAGAATCTGCAGAAAGCAGGCACTCGTACAGACTCAAGGGAGGAT
GAGATTTCTCCTCCTCCACCCAACCCAGTGGTTAAAGGTAGGAGGCGACGAGGTGCTATC
AGCGCTGAGGTCTACACGGAGGAAGATGCGGCATCCTATGTTAGAAAGGTTATACCAAAA
GATTACAAGACAATGGCCGCTTTAGCCAAAGCCATTGAAAAGAATGTGCTGTTTTCACAT
CTTGATGATAATGAGAGAAGTGATATTTTTGATGCCATGTTTTCGGTCTCCTTTATCGCA
GGAGAGACTGTGATTCAGCAAGGTGATGAAGGGGATAACTTCTATGTGATTGATCAAGGA
GAGACGGATGTCTATGTTAACAATGAATGGGCAACCAGTGTTGGGGAAGGAGGGAGCTTT
GGAGAACTTGCTTTGATTTATGGAACACCGAGAGCAGCCACTGTCAAAGCAAAGACAAAT
GTGAAATTGTGGGGCATCGACCGAGACAGCTATAGAAGAATCCTCATGGGAAGCACACTG
AGAAAGCGGAAGATGTATGAGGAATTCCTTAGTAAAGTCTCTATTTTAGAGTCTCTGGAC
AAGTGGGAACGTCTTACGGTAGCTGATGCATTGGAACCAGTGCAGTTTGAAGATGGGCAG
AAGATTGTGGTGCAGGGAGAACCAGGGGATGAGTTCTTCATTATTTTAGAGGGGTCAGCT
GCTGTGCTACAACGTCGGTCAGAAAATGAAGAGTTTGTTGAAGTGGGAAGATTGGGGCCT
TCTGATTATTTTGGTGAAATTGCACTACTGATGAATCGTCCTCGTGCTGCCACAGTTGTT
GCTCGTGGCCCCTTGAAGTGCGTTAAGCTGGACCGACCTAGATTTGAACGTGTTCTTGGC
CCATGCTCAGACATCCTCAAACGAAACATCCAGCAGTACAACAGTTTTGTGTCACTGTCT
GTCTGA
PF00027
cNMP_binding
PF02197
RIIa
component
cAMP-dependent protein kinase complex
component
protein complex
component
unlocalized protein complex
function
enzyme regulator activity
function
kinase regulator activity
function
protein kinase regulator activity
function
cAMP-dependent protein kinase regulator activity
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein modification
process
cellular process
process
cell communication
process
signal transduction
process
protein amino acid phosphorylation
process
physiological process
process
metabolism
"
|
| rdfs:label |
"Sp-Adenosine-3',5'-Cyclic-Monophosphorothioate"
|
| rdf:type | |
| owl:sameAs | |
| 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