Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07489"

Predicate	Value (sorted: default)
rdfs:label	"{[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the acetophenones. These are organic compounds containing the acetophenone structure. Acetophenones Organic Compounds Benzenoids Benzene and Substituted Derivatives Acetophenones Thiazolecarboxylic Acids and Derivatives Benzoyl Derivatives 2,4,5-trisubstituted Thiazoles Fluorobenzenes Chlorobenzenes Aryl Chlorides Aminothiazoles Aryl Fluorides Primary Aromatic Amines Ketones Enolates Secondary Amines Polyamines Organofluorides Organochlorides 2,4,5-trisubstituted 1,3-thiazole thiazolecarboxylic acid or derivative benzoyl chlorobenzene fluorobenzene primary aromatic amine aryl halide aryl fluoride 1,3-thiazolamine aryl chloride thiazole azole ketone secondary amine enolate polyamine organohalogen primary amine carbonyl group organochloride organofluoride organonitrogen compound amine logP 1.87 ALOGPS logS -5.8 ALOGPS Water Solubility 6.74e-04 g/l ALOGPS logP 5.51 ChemAxon IUPAC Name 4-amino-2-[(3-chlorophenyl)amino]-5-[(4-fluorophenyl)carbonyl]-1,3-thiazol-3-ium ChemAxon Traditional IUPAC Name 4-amino-2-[(3-chlorophenyl)amino]-5-[(4-fluorophenyl)carbonyl]-1,3-thiazol-3-ium ChemAxon Molecular Weight 348.802 ChemAxon Monoisotopic Weight 348.037363623 ChemAxon SMILES NC1=C(SC(NC2=CC(Cl)=CC=C2)=[NH+]1)C(=O)C1=CC=C(F)C=C1 ChemAxon Molecular Formula C16H12ClFN3OS ChemAxon InChI InChI=1S/C16H11ClFN3OS/c17-10-2-1-3-12(8-10)20-16-21-15(19)14(23-16)13(22)9-4-6-11(18)7-5-9/h1-8H,19H2,(H,20,21)/p+1 ChemAxon InChIKey InChIKey=WWGPTHOMFHDEEC-UHFFFAOYSA-O ChemAxon Polar Surface Area (PSA) 69.26 ChemAxon Refractivity 99.5 ChemAxon Polarizability 34.34 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 12.12 ChemAxon pKa (strongest basic) 1.92 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Ghose Filter true ChemAxon PubChem Compound 10062702 PubChem Substance 99443960 ChemSpider 8238249 PDB BRQ BE0003958 Casein kinase I isoform gamma-3 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 Casein kinase I isoform gamma-3 Involved in ATP binding Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. It can phosphorylate a large number of proteins. Participates in Wnt signaling (By similarity) CSNK1G3 5q23 Cytoplasm None 9.63 51388.1 Human HUGO Gene Nomenclature Committee (HGNC) GNC:2456 GeneCards CSNK1G3 GenBank Gene Database AF049089 GenBank Protein Database 4590040 UniProtKB Q9Y6M4 UniProt Accession KC1G3_HUMAN CKI-gamma 3 >Casein kinase I isoform gamma-3 MENKKKDKDKSDDRMARPSGRSGHNTRGTGSSSSGVLMVGPNFRVGKKIGCGNFGELRLG KNLYTNEYVAIKLEPMKSRAPQLHLEYRFYKQLGSGDGIPQVYYFGPCGKYNAMVLELLG PSLEDLFDLCDRTFSLKTVLMIAIQLISRMEYVHSKNLIYRDVKPENFLIGRPGNKTQQV IHIIDFGLAKEYIDPETKKHIPYREHKSLTGTARYMSINTHLGKEQSRRDDLEALGHMFM YFLRGSLPWQGLKADTLKERYQKIGDTKRATPIEVLCENFPEMATYLRYVRRLDFFEKPD YDYLRKLFTDLFDRKGYMFDYEYDWIGKQLPTPVGAVQQDPALSSNREAHQHRDKMQQSK NQSADHRAAWDSQQANPHHLRAHLAADRHGGSVQVVSSTNGELNTDDPTAGRSNAPITAP TEVEVMDETKCCCFFKRRKRKTIQRHK >1344 bp ATGGAAAATAAAAAGAAAGACAAGGACAAATCAGATGATAGAATGGCACGACCTAGTGGT CGATCGGGACACAACACTCGAGGAACTGGGTCTTCATCGTCTGGAGTTTTAATGGTTGGA CCTAACTTTAGAGTTGGAAAAAAAATTGGATGTGGCAATTTTGGAGAATTACGATTAGGG AAAAATTTATACACAAATGAATATGTGGCAATTAAGTTGGAGCCCATGAAATCAAGAGCA CCACAGCTACATTTGGAATACAGATTCTATAAGCAGTTAGGATCTGGAGATGGTATACCT CAAGTTTACTATTTCGGCCCTTGTGGTAAATACAATGCTATGGTGCTGGAACTGCTGGGA CCTAGTTTGGAAGACTTGTTTGACTTGTGTGACAGAACATTTTCTCTTAAAACAGTTCTC ATGATAGCTATACAACTGATTTCTCGCATGGAATATGTCCATTCAAAGAACTTGATATAC AGAGATGTAAAACCTGAGAACTTCTTAATAGGACGACCAAGAAACAAAACCCAGCAAGTT ATTCACATTATAGATTTTGGTTTGGCAAAGGAATATATTGATCCGGAGACAAAGAAACAC ATACCATACAGAGAACACAAGAGCCTTACAGGAACAGCTAGATATATGAGCATAAACACA CATTTAGGAAAAGAACAAAGTAGAAGAGACGATTTAGAAGCTTTAGGTCATATGTTCATG TATTTTCTGAGAGGCAGTCTTCCTTGGCAAGGCTTAAAGGCTGACACATTAAAGGAGAGG TATCAGAAAATTGGAGATACAAAACGGGCTACACCAATAGAAGTGTTATGTGAAAATTTT CCAGAAATGGCAACATATCTTCGTTATGTAAGAAGGCTAGATTTTTTTGAAAAACCAGAC TATGAATACTTAAGAAAGCTTTTTACTGACTTGTTTGATCGAAAAGGATATATGTTTGAT TATGAATATGACTGGATTGGTAAACAGTTGCCTACTCCAGTGGGTGCAGTTCAGCAAGAT CCTGCTCTGTCATCAAACAGAGAAGCACATCAACACAGAGATAAGATGCAACAATCCAAA AACCAGTCGGCAGACCACAGGGCAGCTTGGGACTCCCAGCAGGCAAATCCCCACCATTTG AGAGCTCACCTTGCAGCAGACAGACATGGTGGCTCGGTACAGGTTGTAAGTTCTACAAAT GGAGAGTTAAACACAGATGACCCCACCGCAGGACGTTCAAATGCACCCATCACAGCCCCT ACTGAAGTAGAAGTGATGGATGAAACCAAGTGCTGCTGCTTTTTCAAACGAAGGAAAAGG AAAACCATACAGCGCCACAAATGA PF00069 Pkinase function ATP binding function catalytic activity function transferase activity, transferring phosphorus-containing groups function kinase activity function protein kinase activity function protein serine/threonine kinase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function binding function transferase activity process physiological process process metabolism process macromolecule metabolism process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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