Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02848"

PredicateValue (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

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