Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04004"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
Quinazolinamines
Organic Compounds
Heterocyclic Compounds
Naphthyridines
Quinazolines
Anilines
Pyrimidones
Primary Aromatic Amines
Tertiary Amines
Polyamines
Thioethers
aniline
pyrimidone
benzene
primary aromatic amine
pyrimidine
tertiary amine
polyamine
thioether
primary amine
amine
organonitrogen compound
logP
0.01
ALOGPS
logS
-2.8
ALOGPS
Water Solubility
4.75e-01 g/l
ALOGPS
logP
0.3
ChemAxon
IUPAC Name
2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)-3,4-dihydroquinazolin-4-one
ChemAxon
Traditional IUPAC Name
2,6-diamino-8-({[2-(dimethylamino)ethyl]sulfanyl}methyl)-3H-quinazolin-4-one
ChemAxon
Molecular Weight
293.388
ChemAxon
Monoisotopic Weight
293.131030945
ChemAxon
SMILES
CN(C)CCSCC1=C2N=C(N)NC(=O)C2=CC(N)=C1
ChemAxon
Molecular Formula
C13H19N5OS
ChemAxon
InChI
InChI=1S/C13H19N5OS/c1-18(2)3-4-20-7-8-5-9(14)6-10-11(8)16-13(15)17-12(10)19/h5-6H,3-4,7,14H2,1-2H3,(H3,15,16,17,19)
ChemAxon
InChIKey
InChIKey=FDIXHXDLCOSDFY-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
96.74
ChemAxon
Refractivity
86.61
ChemAxon
Polarizability
32.13
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
11.4
ChemAxon
pKa (strongest basic)
8.96
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
448017
PubChem Substance
46507652
ChemSpider
394950
PDB
BHB
BE0001405
Queuine tRNA-ribosyltransferase
Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
# 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
Queuine tRNA-ribosyltransferase
Translation, ribosomal structure and biogenesis
Exchanges the guanine residue with 7-aminomethyl-7- deazaguanine in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr). After this exchange, a cyclopentendiol moiety is attached to the 7-aminomethyl group of 7-deazaguanine, resulting in the hypermodified nucleoside queuosine (Q) (7-(((4,5-cis- dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine)
tgt
None
6.85
42843.0
Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
GenBank Gene Database
L33777
GenBank Protein Database
498141
UniProtKB
P28720
UniProt Accession
TGT_ZYMMO
EC 2.4.2.29
Guanine insertion enzyme
tRNA-guanine transglycosylase
>Queuine tRNA-ribosyltransferase
MVEATAQETDRPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVR
ATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEE
GVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAK
RSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEM
FRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPI
NIRNARFSEDLTPLDSECHCAVCQKWSRAYIHHLIRAGEILGAMLMTEHNIAFYQQLMQK
IRDSISEGRFSQFAQDFRARYFARNS
>1200 bp
ATGAGCTTGGAAATGATGACGGCAGTCAAAGGAAGAAATGTGGTAGAAGCAACAGCGCAA
GAGACCGATCGTCCGCGTTTTTCTTTTTCAATCGCGGCAAGGGAAGGAAAAGCCCGCACC
GGCACTATCGAAATGAAGCGGGGCGTTATCCGAACCCCTGCCTTTATGCCGGTTGGCACG
GCAGCTACCGTAAAGGCTTTAAAGCCGGAAACAGTTCGGGCAACTGGCGCTGATATTATC
TTGGGGAATACCTATCATCTGATGCTTCGTCCGGGTGCCGAACGGATAGCTAAGCTGGGC
GGATTACATTCTTTTATGGGGTGGGATCGGCCTATTTTGACGGATAGCGGCGGGTATCAG
GTGATGAGCCTATCTTCTTTGACGAAGCAGAGCGAAGAGGGCGTTACCTTTAAAAGTCAC
CTTGACGGTTCCCGCCATATGCTGTCGCCGGAACGTTCTATCGAAATCCAGCATTTACTA
GGCAGTGATATCGTAATGGCCTTTGACGAATGCACGCCTTATCCAGCAACGCCTTCGCGC
GCGGCCTCGTCAATGGAACGCTCGATGCGGTGGGCGAAAAGATCACGGGATGCCTTTGAT
AGCCGAAAAGAACAGGCAGAAAATGCGGCTTTGTTCGGAATTCAACAAGGTTCTGTTTTT
GAAAATCTGCGGCAACAATCGGCGGATGCTCTGGCTGAAATCGGCTTTGATGGCTATGCT
GTTGGGGGATTGGCTGTGGGTGAAGGACAGGATGAAATGTTCCGTGTCCTTGATTTTTCT
GTGCCGATGCTGCCCGATGACAAACCTCATTATCTTATGGGCGTTGGTAAGCCTGATGAT
ATCGTTGGAGCGGTTGAACGCGGCATTGATATGTTCGATTGCGTCTTGCCGACACGTTCC
GGTCGGAATGGGCAAGCCTTTACATGGGATGGGCCTATCAATATCAGAAATGCCCGTTTT
TCAGAAGATTTGAAGCCGTTGGATAGTGAATGTCATTGTGCCGTTTGCCAGAAATGGAGC
CGCGCCTATATCCATCATTTAATTCGGGCGGGTGAGATCTTGGGGGCTATGCTGATGACA
GAGCATAATATCGCCTTTTATCAACAGCTTATGCAAAAAATACGGGACTCTATTTCGGAG
GGGCGTTTTTCGCAATTTGCTCAGGATTTCAGAGCGCGCTATTTCGCACGGAATAGCTAG
PF01702
TGT
function
transferase activity
function
transferase activity, transferring glycosyl groups
function
transferase activity, transferring pentosyl groups
function
queuine tRNA-ribosyltransferase activity
function
catalytic activity
process
queuosine biosynthesis
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
RNA metabolism
process
tRNA metabolism
process
physiological process
process
tRNA modification
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object