Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02532"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2,4,6-Triaminoquinazoline"
|
| rdf:type | |
| ns1: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
Aminopyrimidines and Derivatives
Anilines
Primary Aromatic Amines
Polyamines
aminopyrimidine
aniline
benzene
pyrimidine
primary aromatic amine
polyamine
amine
primary amine
organonitrogen compound
logP
-0.27
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
5.51e+00 g/l
ALOGPS
logP
0.21
ChemAxon
IUPAC Name
quinazoline-2,4,6-triamine
ChemAxon
Traditional IUPAC Name
2,4,6-triaminoquinazoline
ChemAxon
Molecular Weight
175.1906
ChemAxon
Monoisotopic Weight
175.085795313
ChemAxon
SMILES
NC1=CC=C2N=C(N)N=C(N)C2=C1
ChemAxon
Molecular Formula
C8H9N5
ChemAxon
InChI
InChI=1S/C8H9N5/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,9H2,(H4,10,11,12,13)
ChemAxon
InChIKey
InChIKey=LJBWEZVYRBKOCI-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
103.84
ChemAxon
Refractivity
53.16
ChemAxon
Polarizability
17.77
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
18.65
ChemAxon
pKa (strongest basic)
7.43
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
292661
PubChem Substance
46508636
ChemSpider
258260
PDB
TAQ
BE0001467
Pteridine reductase 1
Leishmania major
# 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
Pteridine reductase 1
Lipid transport and metabolism
Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX)
PTR1
None
7.19
30457.0
Leishmania major
GenBank Gene Database
L01699
GenBank Protein Database
13929426
UniProtKB
Q01782
UniProt Accession
PTR1_LEIMA
EC 1.5.1.33
H region methotrexate resistance protein
>Pteridine reductase 1
MTAPTVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNARRPNSAI
TVQADLSNVATAPVSGADGSAPVTLFTRCAELVAACYTHWGRCDVLVNNASSFYPTPLLR
NDEDGHEPCVGDREAMETATADLFGSNAIAPYFLIKAFAHRFAGTPAKHRGTNYSIINMV
DAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPLQIRVNGVGPGLSVLVDDMPPAVWEG
HRSKVPLYQRDSSAAEVSDVVIFLCSSKAKYITGTCVKVDGGYSLTRA
>867 bp
ATGACTGCTCCGACCGTGCCGGTGGCGTTGGTAACAGGCGCCGCGAAGCGTCTTGGCCGC
AGTATCGCTGAGGGACTCCACGCGGAGGGGTACGCTGTCTGCTTGCACTATCATCGCTCT
GCTGCAGAAGCGAACGCACTATCCGCGACGCTCAACGCAAGGCGACCGAACAGCGCCATC
ACGGTGCAGGCGGATCTGAGCAACGTTGCCACAGCCCCGGTCAGCGGCGCTGATGGCTCT
GCACCTGTTACCCTCTTCACGCGCTGTGCTGAGTTGGTGGCTGCGTGCTACACCCACTGG
GGACGCTGCGACGTGCTAGTGAACAACGCCTCTTCTTTCTACCCCACGCCGCTGCTGAGG
AATGACGAGGATGGACACGAGCCCTGTGTCGGAGATAGAGAGGCAATGGAGACGGCCACC
GCTGACCTCTTCGGCTCCAACGCGATAGCGCCCTACTTCTTGATTAAGGCGTTCGCGCAT
CGCTTCGCGGGCACCCCAGCCAAGCATCGCGGCACCAACTACTCCATCATCAACATGGTC
GACGCCATGACGAACCAGCCTCTTCTCGGGTACACCATATATACCATGGCCAAAGGGGCG
TTGGAGGGGCTGACACGGTCTGCCGCGCTGGAGCTTGCGCCGCTGCAGATTCGAGTGAAC
GGCGTTGGTCCGGGTTTGTCGGTGCTCGTCGATGACATGCCCCCTGCTGTGTGGGAGGGC
CACCGCAGCAAGGTGCCTCTGTACCAGCGCGATTCCTCCGCCGCAGAGGTGAGCGACGTT
GTTATCTTTCTGTGCTCCTCCAAGGCCAAGTACATCACCGGCACCTGTGTCAAAGTGGAT
GGTGGCTACAGCCTTACCCGGGCCTGA
PF00106
adh_short
function
oxidoreductase activity
function
catalytic activity
process
metabolism
process
physiological process
BE0003983
Putative dehydrogenase/reductase SDR family member 4-like 2
Human
# 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
Putative dehydrogenase/reductase SDR family member 4-like 2
DHRS4L1
Human
UniProtKB
P0CG22
UniProt Accession
DR4L1_HUMAN
"
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| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object