Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02848"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"{4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenylthiazoles. These are compounds containing a phenylthiazole moiety, which consists of an thiazole ring attacthed to a phenyl group.
Phenylthiazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Quinazolinamines
Phenol Ethers
Alkyl Aryl Ethers
Aminopyrimidines and Derivatives
2,4-disubstituted Thiazoles
Polyamines
Primary Alcohols
Secondary Amines
phenol ether
aminopyrimidine
2,4-disubstituted 1,3-thiazole
alkyl aryl ether
benzene
pyrimidine
primary alcohol
secondary amine
ether
polyamine
alcohol
organonitrogen compound
amine
logP
4.37
ALOGPS
logS
-5.1
ALOGPS
Water Solubility
3.12e-03 g/l
ALOGPS
logP
3.86
ChemAxon
IUPAC Name
(4-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazol-2-yl)methanol
ChemAxon
Traditional IUPAC Name
(4-{3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl}-1,3-thiazol-2-yl)methanol
ChemAxon
Molecular Weight
422.5
ChemAxon
Monoisotopic Weight
422.14126128
ChemAxon
SMILES
CCOC1=C(OCC)C=C2C(NC3=CC=CC(=C3)C3=CSC(CO)=N3)=NC=NC2=C1
ChemAxon
Molecular Formula
C22H22N4O3S
ChemAxon
InChI
InChI=1S/C22H22N4O3S/c1-3-28-19-9-16-17(10-20(19)29-4-2)23-13-24-22(16)25-15-7-5-6-14(8-15)18-12-30-21(11-27)26-18/h5-10,12-13,27H,3-4,11H2,1-2H3,(H,23,24,25)
ChemAxon
InChIKey
InChIKey=ZJESXGUODSBHSK-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
89.39
ChemAxon
Refractivity
116.14
ChemAxon
Polarizability
46.55
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
7
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
13.63
ChemAxon
pKa (strongest basic)
4.61
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
5740
PubChem Substance
46505789
ChemSpider
5538
PDB
PFE
BE0002431
Fructose-1,6-bisphosphatase 1
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
Fructose-1,6-bisphosphatase 1
Involved in phosphoric ester hydrolase activity
D-fructose 1,6-bisphosphate + H(2)O = D- fructose 6-phosphate + phosphate
FBP1
9q22.3
Cytoplasmic
None
6.99
36815.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:3606
GenAtlas
FBP1
GenBank Gene Database
L10320
UniProtKB
P09467
UniProt Accession
F16P1_HUMAN
D-fructose-1,6- bisphosphate 1-phosphohydrolase 1
EC 3.1.3.11
FBPase 1
>Fructose-1,6-bisphosphatase 1
MADQAPFDTDVNTLTRFVMEEGRKARGTGELTQLLNSLCTAVKAISSAVRKAGIAHLYGI
AGSTNVTGDQVKKLDVLSNDLVMNMLKSSFATCVLVSEEDKHAIIVEPEKRGKYVVCFDP
LDGSSNIDCLVSVGTIFGIYRKKSTDEPSEKDALQPGRNLVAAGYALYGSATMLVLAMDC
GVNCFMLDPAIGEFILVDKDVKIKKKGKIYSLNEGYAKDFDPAVTEYIQRKKFPPDNSAP
YGARYVGSMVADVHRTLVYGGIFLYPANKKSPNGKLRLLYECNPMAYVMEKAGGMATTGK
EAVLDVIPTDIHQRAPVILGSPDDVLEFLKVYEKHSAQ
>1017 bp
ATGGCTGACCAGGCGCCCTTCGACACGGACGTCAACACCCTGACCCGCTTCGTCATGGAG
GAGGGCAGGAAGGCCCGCGGCACGGGCGAGTTGACCCAGCTGCTCAACTCGCTCTGCACA
GCAGTCAAAGCCATCTCTTCGGCGGTGCGCAAGGCGGGCATCGCGCACCTCTATGGCATT
GCTGGTTCTACCAACGTGACAGGTGATCAAGTTAAGAAGCTGGACGTCCTCTCCAACGAC
CTGGTTATGAACATGTTAAAGTCATCCTTTGCCACGTGTGTTCTCGTGTCAGAAGAAGAT
AAACACGCCATCATAGTGGAACCGGAGAAAAGGGGTAAATATGTGGTCTGTTTTGATCCC
CTTGATGGATCTTCCAACATCGATTGCCTTGTGTCCGTTGGAACCATTTTTGGCATCTAT
AGAAAGAAATCAACTGATGAGCCTTCTGAGAAGGATGCTCTGCAACCAGGCCGGAACCTG
GTGGCAGCCGGCTACGCACTGTATGGCAGTGCCACCATGCTGGTCCTTGCCATGGACTGT
GGGGTCAACTGCTTCATGCTGGACCCGGCCATCGGGGAGTTCATTTTGGTGGACAAGGAT
GTGAAGATAAAAAAGAAAGGTAAAATCTACAGCCTTAACGAGGCGTACGCTAAGGACTTT
GACCCTGCCGTCACTGAGTACATCCAGAGGAAGAAGTTCCCCCCAGATAATTCAGCTCCT
TATGGGGCCCGGTATGTGGGCTCCATGGTGGCTGATGTTCATCGCACTCTGGTCTACGGA
GGGATATTTCTGTACCCCGCTAACAAGAAGAGCCCCAATGGAAAGCTGAGACTGCTGTAC
GAATGCAACCCCATGGCCTACGTCATGGAGAAGGCTGGGGGAATGGCCACCACTGGGAAG
GAGGCCGTGTTAGACGTCATTCCCACAGACATTCACCAGAGGGCGCCGGTGATCTTGGGG
TCCCCCGACGACGTGCTCGAGTTCCTGAAGGTGTATGAGAAGCACTCTGCCCAGTGA
PF00316
FBPase
function
hydrolase activity, acting on ester bonds
function
phosphoric ester hydrolase activity
function
catalytic activity
function
hydrolase activity
process
carbohydrate metabolism
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| 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