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Predicate	Value (sorted: default)
rdfs:label	"[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE"
rdf:type	drugbank:drugs
drugbank: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 Benzene and Substituted Derivatives Azomethines Pyrazoles Cyclic Alcohols and Derivatives Nitriles Polyamines Secondary Amines aminopyrimidine pyrimidine benzene azole azomethine pyrazole cyclic alcohol secondary amine polyamine carbonitrile nitrile amine organonitrogen compound logP 4.44 ALOGPS logS -4.3 ALOGPS Water Solubility 1.93e-02 g/l ALOGPS logP 4.8 ChemAxon IUPAC Name 2-[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile ChemAxon Traditional IUPAC Name 2-[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile ChemAxon Molecular Weight 381.4332 ChemAxon Monoisotopic Weight 381.170193643 ChemAxon SMILES N#CCC1C=CC(C=C1)=NC1=NC2=CC=CC=C2C(NC2=NNC(=C2)C2CC2)=N1 ChemAxon Molecular Formula C22H19N7 ChemAxon InChI InChI=1S/C22H19N7/c23-12-11-14-5-9-16(10-6-14)24-22-25-18-4-2-1-3-17(18)21(27-22)26-20-13-19(28-29-20)15-7-8-15/h1-6,9-10,13-15H,7-8,11H2,(H2,25,26,27,28,29)/b24-16- ChemAxon InChIKey InChIKey=AWMNWCNUTIFHRJ-JLPGSUDCSA-N ChemAxon Polar Surface Area (PSA) 102.64 ChemAxon Refractivity 116.81 ChemAxon Polarizability 42.45 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 10.41 ChemAxon pKa (strongest basic) 3.56 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 5 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46937100 PubChem Substance 99444324 ChemSpider 22377303 PDB GVD BE0004041 STE20-like serine/threonine-protein kinase 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 STE20-like serine/threonine-protein kinase Involved in ATP binding Mediates apoptosis and actin stress fiber dissolution (By similarity) SLK 10q24.33 Cytoplasm (By similarity) None 4.8 142694.0 Human HUGO Gene Nomenclature Committee (HGNC) GNC:11088 GeneCards SLK GenBank Gene Database AB002804 GenBank Protein Database 1944185 UniProtKB Q9H2G2 UniProt Accession SLK_HUMAN CTCL tumor antigen se20-9 hSLK Serine/threonine-protein kinase 2 STE20-like kinase STE20-related kinase STE20-related serine/threonine-protein kinase >STE20-like serine/threonine-protein kinase MSFFNFRKIFKLGSEKKKKQYEHVKRDLNPEDFWEIIGELGDGAFGKVYKAQNKETSVLA AAKVIDTKSEEELEDYMVEIDILASCDHPNIVKLLDAFYYENNLWILIEFCAGGAVDAVM LELERPLTESQIQVVCKQTLDALNYLHDNKIIHRDLKAGNILFTLDGDIKLADFGVSAKN TRTIQRRDSFIGTPYWMAPEVVMCETSKDRPYDYKADVWSLGITLIEMAEIEPPHHELNP MRVLLKIAKSEPPTLAQPSRWSSNFKDFLKKCLEKNVDARWTTSQLLQHPFVTVDSNKPI RELIAEAKAEVTEEVEDGKEEDEEEETENSLPIPASKRASSDLSIASSEEDKLSQNACIL ESVSEKTERSNSEDKLNSKILNEKPTTDEPEKAVEDINEHITDAQLEAMTELHDRTAVIK ENEREKRPKLENLPDTEDQETVDINSVSEGKENNIMITLETNIEHNLKSEEEKDQEKQQM FENKLIKSEEIKDTILQTVDLVSQETGEKEANIQAVDSEVGLTKEDTQEKLGEDDKTQKD VISNTSDVIGTCEAADVAQKVDEDSAEDTQSNDGKEVVEVGQKLINKPMVGPEAGGTKEV PIKEIVEMNEIEEGKNKEQAINSSENIMDINEEPGTTEGEEITESSSTEEMEVRSVVADT DQKALGSEVQDASKVTTQIDKEKKEIPVSIKKEPEVTVVSQPTEPQPVLIPSININSDSG ENKEEIGSLSKTETILPPESENPKENDNDSGTGSTADTSSIDLNLSISSFLSKTKDSGSI SLQETRRQKKTLKKTRKFIVDGVEVSVTTSKIVTDSDSKTEELRFLRRQELRELRFLQKE EQRAQQQLNSKLQQQREQIFRRFEQEMMSKKRQYDQEIENLEKQQKQTIERLEQEHTNRL RDEAKRIKGEQEKELSKFQNMLKNRKKEVINEVEKAPKELRKELMKRRKEELAQSQHAQE QEFVQKQQQELDGSLKKIIQQQKAELANIERECLNNKQQLMRAREAAIWELEERHLQEKH QLLKQQLKDQYFMQRHQLLKRHEKETEQMQRYNQRLIEELKNRQTQERARLPKIQRSEAK TRMAMFKKSLRINSTATPDQDRDKIKQFAAQEEKRQKNERMAQHQKHENQMRDLQLQCEA NVRELHQLQNEKCHLLVEHETQKLKELDEEHSQELKEWREKLRPRKKTLEEEFARKLQEQ EVFFKMTGESECLNPSTQSRISKFYPIPSLHSTGS >3615 bp ATGTCCTTCTTCAATTTCCGTAAGATCTTCAAGTTGGGGAGCGAGAAGAAGAAGAAGCAG TACGAACACGTGAAGAGGGACCTGAACCCCGAAGACTTTTGGGAGATTATAGGAGAACTG GGCGACGGAGCCTTTGGGAAAGTGTACAAGGCCCAGAATAAAGAGACCAGTGTTTTAGCT GCTGCAAAAGTGATTGACACTAAATCTGAAGAAGAACTTGAAGATTACATGGTAGAGATT GACATATTAGCATCTTGTGATCACCCAAATATAGTCAAGCTTCTAGATGCCTTCTATTAT GAGAACAATCTTTGGATCCTCATTGAATTTTGTGCAGGTGGAGCAGTAGATGCTGTGATG CTTGAACTTGAGAGACCATTAACTGAGTCCCAAATACAAGTAGTTTGCAAGCAGACTTTA GATGCATTGAACTACTTACATGATAATAAGATCATCCACAGAGATCTGAAGGCTGGCAAC ATTCTCTTTACCTTAGATGGAGATATCAAATTGGCGGATTTTGGAGTATCAGCTAAAAAC ACGAGGACAATTCAAAGAAGAGATTCCTTTATTGGTACACCATATTGGATGGCTCCTGAA GTAGTCATGTGTGAAACATCTAAGGACAGACCCTATGACTACAAAGCTGATGTTTGGTCC CTGGGTATCACTTTAATAGAAATGGCTGAGATAGAACCACCTCATCATGAATTAAATCCA ATGCGAGTGCTGCTAAAAATAGCAAAATCTGAGCCACCTACATTAGCACAGCCATCCAGA TGGTCTTCAAATTTTAAGGACTTTCTAAAGAAATGCTTAGAAAAGAATGTGGATGCCAGG TGGACTACATCTCAGCTGCTGCAGCATCCCTTTGTTACTGTTGATTCCAACAAACCCATC CGAGAATTGATTGCAGAGGCGAAGGCTGAAGTAACAGAAGAAGTTGAAGATGGCAAAGAG GAAGATGAAGAGGAGGAAACAGAAAATTCTCTGCCAATACCTGCAAGTAAGCGTGCATCT TCTGACCTTAGTATCGCCAGCTCTGAAGAAGATAAACTTTCACAAAATGCTTGTATTTTG GAGTCTGTCTCAGAAAAAACAGAACGTAGTAACTCTGAAGATAAACTCAACAGCAAAATT CTTAATGAAAAACCCACCACTGATGAACCTGAAAAGGCTGTGGAGGATATTAATGAACAT ATTACCGATGCTCAGTTAGAAGCAATGACTGAACTCCATGACAGAACAGCAGTAATCAAG GAGAATGAAAGAGAGAAGAGGCCCAAGCTTGAAAATCTGCCTGACACAGAAGACCAAGAA ACTGTGGACATTAATTCAGTCAGTGAAGGAAAAGAGAATAATATAATGATAACCTTAGAA ACAAATATTGAACATAATCTAAAATCTGAGGAAGAAAAGGATCAGGAAAAGCAACAGATG TTTGAAAATAAGCTTATAAAATCTGAAGAAATTAAAGATACTATTTTGCAAACAGTAGAT TTAGTTTCTCAAGAGACTGGAGAAAAAGAGGCAAATATTCAGGCAGTTGATAGTGAAGTT GGGCTTACAAAGGAAGACACCCAAGAGAAATTGGGGGAAGACGACAAAACTCAAAAAGAT GTGATTAGCAATACAAGTGATGTGATAGGAACATGTGAGGCAGCAGATGTGGCTCAGAAA GTGGATGAAGACAGTGCTGAGGATACGCAGAGTAATGATGGGAAAGAAGTGGTCGAAGTA GGCCAGAAATTAATTAATAAGCCCATGGTGGGTCCTGAGGCTGGTGGTACTAAGGAAGTT CCTATTAAAGAAATAGTTGAAATGAATGAAATAGAAGAAGGTAAAAATAAGGAACAAGCA ATAAACAGTTCAGAGAACATAATGGACATCAATGAGGAACCAGGAACAACTGAAGGTGAA GAAATCACTGAGTCAAGTAGCACTGAAGAAATGGAGGTCAGAAGTGTGGTGGCTGATACT GACCAAAAGGCTTTAGGAAGTGAAGTTCAGGATGCTTCTAAAGTCACTACTCAGATAGAT AAAGAGAAAAAAGAAATTCCAGTGTCAATTAAAAAAGAGCCTGAAGTTACTGTAGTTTCA CAGCCCACTGAACCTCAGCCTGTTCTAATACCCAGTATTAATATCAACTCTGACAGTGGA GAAAATAAAGAAGAAATAGGTTCTTTATCAAAAACTGAAACTATTCTGCCACCAGAATCT GAGAATCCAAAGGAAAATGATAATGATTCAGGCACTGGTTCCACTGCTGATACTAGCAGT ATTGACTTGAATTTATCCATCTCTAGCTTTCTAAGTAAAACTAAAGACAGTGGATCGATA TCTTTACAAGAAACAAGAAGACAAAAGAAAACATTGAAGAAAACACGCAAATTTATTGTT GATGGTGTAGAAGTGAGTGTAACAACATCAAAGATAGTTACAGATAGTGATTCCAAAACT GAAGAATTGCGGTTTCTTAGACGTCAGGAACTTCGGGAATTAAGATTTCTTCAGAAAGAA GAGCAAAGAGCCCAACAACAGCTCAATAGCAAACTACAGCAACAACGAGAACAAATTTTC CGGCGCTTTGAGCAGGAAATGATGAGTAAAAAGCGACAATATGACCAGGAAATTGAGAAT CTAGAAAAACAGCAGAAACAGACTATCGAACGCCTGGAACAAGAGCACACAAATCGCTTG CGAGATGAAGCCAAACGCATCAAAGGAGAACAAGAGAAAGAGTTGTCCAAATTTCAGAAT ATGCTGAAGAACCGAAAGAAGGAGGAACAAGAGTTTGTTCAGAAACAACAGCAAGAATTA GATGGCTCTCTGAAAAAGATCATCCAGCAGCAGAAGGCAGAGTTAGCTAATATTGAGAGA GAGTGCCTGAATAACAAGCAACAGCTCATGAGAGCTCGAGAAGCTGCAATTTGGGAGCTC GAAGAACGACACTTACAAGAAAAACACCAGCTGCTCAAACAGCAGCTTAAAGATCAGTAT TTCATGCAAAGACATCAGCTACTTAAGCGCCACGAGAAGGAAACAGAGCAAATGCAGCGT TACAATCAAAGACTTATTGAGGAATTGAAAAACAGACAGACTCAAGAAAGAGCAAGACTG CCCAAGATTCAGCGCAGTGAAGCCAAGACTCGAATGGCCATGTTTAAGAAGAGTTTGAGA ATTAACTCAACAGCCACACCAGATCAGGACCGTGATAAAATTAAACAGTTTGCTGCACAA GAAGAAAAGAGGCAGAAAAATGAGAGAATGGCTCAGCATCAGAAACATGAGAATCAAATG CGAGATCTTCAGTTGCAGTGTGAAGCCAATGTCCGCGAACTGCATCAGCTGCAGAATGAA AAATGCCACTTGTTGGTTGAGCATGAGACTCAGAAACTGAAGGAGTTAGATGAGGAACAT AGCCAAGAATTAAAGGAGTGGAGAGAGAAATTGAGACCTAGGAAAAAGACACTGGAAGAA GAGTTTGCCAGGAAACTACAGGAACAGGAAGTATTCTTTAAAATGACTGGGGAGTCTGAA TGCCTTAACCCATCAACACAGAGCCGGATTTCCAAATTTTATCCTATTCCCAGCTTGCAT TCCACCGGATCATAA PF00069 Pkinase function nuclease activity function hydrolase activity function kinase activity function protein kinase activity function protein serine/threonine kinase activity function nucleic acid binding function nucleotide binding function binding function purine nucleotide binding function hydrolase activity, acting on ester bonds function adenyl nucleotide binding function DNA binding function catalytic activity function transferase activity function ATP binding function transferase activity, transferring phosphorus-containing groups process nucleotide-excision repair process macromolecule metabolism process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process DNA metabolism process metabolism process DNA repair process cellular metabolism BE0004108 Calcium/calmodulin-dependent protein kinase type II subunit delta 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 Calcium/calmodulin-dependent protein kinase type II subunit delta CAMK2D Human UniProtKB Q13557 UniProt Accession KCC2D_HUMAN BE0004109 Serine/threonine-protein kinase MST4 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 Serine/threonine-protein kinase MST4 Involved in ATP binding Potential mediator of cell growth. Pro-apoptotic MST4 Cytoplasm. Golgi apparatus None 4.93 46528.4 Human GeneCards MST4 GenBank Gene Database AF231012 GenBank Protein Database 13702675 UniProtKB Q9P289 UniProt Accession MST4_HUMAN Mammalian STE20-like protein kinase 4 MST-4 Mst3 and SOK1-related kinase Serine/threonine-protein kinase MASK STE20-like kinase MST4 >Serine/threonine-protein kinase MST4 MAHSPVAVQVPGMQNNIADPEELFTKLERIGKGSFGEVFKGIDNRTQQVVAIKIIDLEEA EDEIEDIQQEITVLSQCDSSYVTKYYGSYLKGSKLWIIMEYLGGGSALDLLRAGPFDEFQ IATMLKEILKGLDYLHSEKKIHRDIKAANVLLSEQGDVKLADFGVAGQLTDTQIKRNTFV GTPFWMAPEVIQQSAYDSKADIWSLGITAIELAKGEPPNSDMHPMRVLFLIPKNNPPTLV GDFTKSFKEFIDACLNKDPSFRPTAKELLKHKFIVKNSKKTSYLTELIDRFKRWKAEGHS DDESDSEGSDSESTSRENNTHPEWSFTTVRKKPDPKKVQNGAEQDLVQTLSCLSMIITPA FAELKQQDENNASRNQAIEELEKSIAVAEAACPGITDKMVKKLIEKFQKCSADESP >1251 bp ATGGCCCACTCGCCGGTGGCTGTCCAAGTGCCTGGGATGCAGAATAACATAGCTGATCCA GAAGAACTGTTCACAAAATTAGAGCGCATTGGGAAAGGCTCATTTGGGGAAGTTTTCAAA GGAATTGATAACCGTACCCAGCAAGTCGTTGCTATTAAAATCATAGACCTTGAGGAAGCC GAAGATGAAATAGAAGACATTCAGCAAGAAATAACTGTCTTGAGTCAATGTGACAGCTCA TATGTAACAAAATACTATGGGTCATATTTAAAGGGGTCTAAATTATGGATAATAATGGAA TACCTGGGCGGTGGTTCAGCACTGGATCTTCTTCGAGCTGGTCCATTTGATGAGTTCCAG ATTGCTACCATGCTAAAGGAAATTTTAAAAGGTCTGGACTATCTGCATTCAGAAAAGAAA ATTCACCGAGACATAAAAGCTGCCAATGTCTTGCTCTCAGAACAAGGAGATGTTAAACTT GCTGATTTTGGAGTTGCTGGTCAGCTGACAGATACACAGATTAAAAGAAATACCTTTGTG GGAACTCCATTTTGGATGGCTCCTGAAGTTATTCAACAGTCAGCTTATGACTCAAAAGCT GACATTTGGTCATTGGGAATTACTGCTATTGAACTAGCCAAGGGAGAGCCACCTAACTCC GATATGCATCCAATGAGAGTTCTGTTTCTTATTCCCAAAAACAATCCTCCAACTCTTGTT GGAGACTTTACTAAGTCTTTTAAGGAGTTTATTGATGCTTGCCTGAACAAAGATCCATCA TTTCGTCCTACAGCAAAAGAACTTCTGAAACACAAATTCATTGTAAAAAATTCAAAGAAG ACTTCTTATCTGACTGAACTGATAGATCGTTTTAAGAGATGGAAGGCAGAAGGACACAGT GATGATGAATCTGATTCCGAGGGCTCTGATTCGGAATCTACCAGCAGGGAAAACAATACT CATCCTGAATGGAGCTTTACCACCGTACGAAAGAAGCCTGATCCAAAGAAAGTACAGAAT GGGGCAGAGCAAGATCTTGTGCAAACCCTGAGTTGTTTGTCTATGATAATCACACCTGCA TTTGCTGAACTTAAACAGCAGGACGAGAATAACGCTAGCAGGAATCAGGCGATTGAAGAA CTCGAGAAAAGTATTGCTGTGGCTGAAGCCGCCTGTCCCGGCATCACAGATAAAATGGTG AAGAAACTAATTGAAAAATTTCAAAAGTGTTCAGCAGACGAATCCCCCTAA PF00069 Pkinase function protein serine/threonine kinase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function binding function transferase activity function ATP binding function catalytic activity function transferase activity, transferring phosphorus-containing groups function kinase activity function protein kinase activity process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification process physiological process process metabolism process macromolecule metabolism "

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