Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03052"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Dazoxiben"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
Benzoic Acids
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
Imidazolyl Carboxylic Acids and Derivatives
Phenol Ethers
Benzoyl Derivatives
Alkyl Aryl Ethers
N-substituted Imidazoles
Carboxylic Acids
Enolates
Polyamines
imidazolyl carboxylic acid derivative
benzoyl
phenol ether
alkyl aryl ether
n-substituted imidazole
imidazole
azole
polyamine
carboxylic acid
ether
enolate
carboxylic acid derivative
amine
organonitrogen compound
Benzoic acid, 4-(2-(1H-imidazol-1-yl)ethoxy)-
Dazoxiben
Dazoxibene
Dazoxibenum
DAZOXIBEN
Antithrombins
Enzyme Inhibitors
logP
1.44
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
1.28e+00 g/l
ALOGPS
logP
0.51
ChemAxon
IUPAC Name
4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid
ChemAxon
Traditional IUPAC Name
dazoxiben
ChemAxon
Molecular Weight
232.2353
ChemAxon
Monoisotopic Weight
232.08479226
ChemAxon
SMILES
OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1
ChemAxon
Molecular Formula
C12H12N2O3
ChemAxon
InChI
InChI=1S/C12H12N2O3/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2,(H,15,16)
ChemAxon
InChIKey
InChIKey=XQGZSYKGWHUSDH-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
64.35
ChemAxon
Refractivity
61.72
ChemAxon
Polarizability
23.35
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
4.36
ChemAxon
pKa (strongest basic)
6.77
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
53001
PubChem Substance
46506407
BindingDB
7962
BE0001893
Thromboxane-A synthase
Human
inhibitor
# 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
# Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/11752352
unknown
Thromboxane-A synthase
Secondary metabolites biosynthesis, transport and catabolism
(5Z,13E)-(15S)-9-alpha,11-alpha-epidioxy-15- hydroxyprosta-5,13-dienoate = (5Z,13E)-(15S)-9-alpha,11-alpha- epoxy-15-hydroxythromboxa-5,13-dienoate
TBXAS1
7q34-q35
Membrane; multi-pass membrane protein
11-31
76-96
224-244
336-356
7.68
60545.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:11609
GenAtlas
TBXAS1
GeneCards
TBXAS1
GenBank Gene Database
M80647
GenBank Protein Database
338704
UniProtKB
P24557
UniProt Accession
THAS_HUMAN
Cytochrome P450 5A1
EC 5.3.99.5
TXA synthase
TXS
>Thromboxane-A synthase
MEALGFLKLEVNGPMVTVALSVALLALLKWYSTSAFSRLEKLGLRHPKPSPFIGNLTFFR
QGFWESQMELRKLYGPLCGYYLGRRMFIVISEPDMIKQVLVENFSNFTNRMASGLEFKSV
ADSVLFLRDKRWEEVRGALMSAFSPEKLNEMVPLISQACDLLLAHLKRYAESGDAFDIQR
CYCNYTTDVVASVPFGTPVDSWQAPEDPFVKHCKRFFEFCIPRPILVLLLSFPSIMVPLA
RILPNKNRDELNGFFNKLIRNVIALRDQQAAEERRRDFLQMVLDARHSASPMGVQDFDIV
RDVFSSTGCKPNPSRQHQPSPMARPLTVDEIVGQAFIFLIAGYEIITNTLSFATYLLATN
PDCQEKLLREVDVFKEKHMAPEFCSLEEGLPYLDMVIAETLRMYPPAFRFTREAAQDCEV
LGQRIPAGAVLEMAVGALHHDPEHWPSPETFNPERFTAEARQQHRPFTYLPFGAGPRSCL
GVRLGLLEVKLTLLHVLHKFRFQACPETQVPLQLESKSALGPKNGVYIKIVSR
>1605 bp
ATGATGGAAGCCTTGGGGTTTCTAAAATTGGAAGTGAATGGCCCCATGGTGACGGTGGCC
CTGTCAGTGGCTCTCTTGGCCCTCCTGAAATGGTACTCCACATCAGCATTCTCAAGACTG
GAGAAGTTAGGCCTCAGACATCCCAAGCCTTCTCCTTTCATTGGAAACTTGACATTTTTC
CGCCAGGGTTTTTGGGAAAGCCAAATGGAGCTCAGAAAGCTGTATGGACCTCTGTGTGGG
TACTATCTTGGTCGTCGGATGTTTATTGTTATTTCTGAGCCAGACATGATCAAGCAGGTG
TTGGTTGAGAACTTCAGTAACTTTACCAACAGAATGGCGTCGGGTTTGGAGTTCAAGTCG
GTAGCCGACAGCGTTCTGTTTTTACGTGACAAAAGATGGGAAGAGGTCAGAGGTGCCCTG
ATGTCTGCTTTCAGTCCTGAAAAGCTGAACGAGATGGTTCCCCTCATCAGCCAAGCCTGC
GACCTTCTCCTGGCTCATTTAAAACGCTATGCGGAATCTGGGGACGCATTTGACATCCAG
AGGTGCTACTGCAATTACACCACAGATGTGGTTGCCAGCGTCCCGTTTGGCACCCCGGTG
GACTCCTGGCAGGCCCCTGAGGATCCCTTTGTGAAACACTGCAAGCGTTTCTTCGAATTC
TGCATCCCCAGACCTATCCTGGTTTTACTCTTATCATTTCCATCCATAATGGTCCCACTG
GCCCGGATTTTGCCCAATAAGAACCGAGACGAACTGAATGGCTTTTTTAACAAACTCATT
AGGAATGTGATTGCCTTGCGGGACCAGCAAGCTGCCGAAGAGAGGCGGAGAGACTTCCTC
CAAATGGTCCTGGATGCCCGACATTCTGCAAGTCCCATGGGCGTGCAAGACTTTGACATC
GTCAGAGACGTTTTCTCCTCTACTGGGTGCAAGCCGAACCCTTCCCGGCAACACCAGCCC
AGCCCTATGGCCAGGCCTTTGACTGTGGATGAGATTGTGGGCCAGGCCTTCATCTTCCTC
ATCGCTGGCTATGAAATCATCACCAACACACTTTCTTTTGCCACCTACCTACTGGCCACC
AACCCTGACTGCCAAGAGAAGCTTCTGAGAGAGGTAGACGTTTTTAAGGAGAAACACATG
GCCCCTGAGTTCTGCAGCCTCGAGGAAGGCCTGCCCTATCTGGACATGGTGATTGCAGAG
ACGCTGAGGATGTACCCGCCAGCTTTCAGATTCACACGGGAGGCAGCTCAGGACTGCGAG
GTGCTGGGGCAGCGCATCCCCGCAGGCGCTGTGCTAGAGATGGCCGTGGGTGCCCTGCAC
CATGACCCTGAGCACTGGCCAAGCCCGGAGACCTTCAACCCTGAAAGGTTCACGGCTGAG
GCCCGGCAGCAGCACCGGCCCTTCACGTACCTGCCCTTCGGGGCCGGCCCACGGAGCTGC
CTCGGGGTGCGTCTAGGGCTGCTTGAGGTCAAGTTGACACTGCTCCACGTGCTGCACAAG
TTCCGGTTCCAAGCCTGCCCTGAGACCCAGGTACCGCTGCAGCTAGAATCCAAATCTGCC
CTAGGTCCAAAAAATGGTGTCTATATCAAGATCGTATCCCGCTGA
PF00067
p450
function
tetrapyrrole binding
function
catalytic activity
function
heme binding
function
monooxygenase activity
function
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
function
oxidoreductase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
iron ion binding
function
binding
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
| ns1:drugCategory | |
| 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