Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02919"

Predicate	Value (sorted: default)
rdfs:label	"2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine"
rdf:type	ns1:drugs
ns1:description	" experimental This compound belongs to the pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridopyrimidines Organic Compounds Heterocyclic Compounds Pyridopyrimidines Anisoles Alkyl Aryl Ethers Aminopyrimidines and Derivatives Aminopyridines and Derivatives Primary Aromatic Amines Tertiary Amines Polyamines phenol ether anisole aminopyrimidine aminopyridine alkyl aryl ether pyrimidine benzene pyridine primary aromatic amine tertiary amine ether polyamine primary amine amine organonitrogen compound logP 2.16 ALOGPS logS -3 ALOGPS Water Solubility 3.51e-01 g/l ALOGPS logP 1.51 ChemAxon IUPAC Name 6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon Traditional IUPAC Name 6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pyrido[2,3-d]pyrimidine-2,4,6-triamine ChemAxon Molecular Weight 370.4057 ChemAxon Monoisotopic Weight 370.1753386 ChemAxon SMILES COC1=CC(CN(C)C2=CN=C3N=C(N)N=C(N)C3=C2)=CC(OC)=C1OC ChemAxon Molecular Formula C18H22N6O3 ChemAxon InChI InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23) ChemAxon InChIKey InChIKey=PUOZHLHNKHRTOW-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 121.64 ChemAxon Refractivity 106.31 ChemAxon Polarizability 37.74 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 16.08 ChemAxon pKa (strongest basic) 4.3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 447229 PubChem Substance 46505269 ChemSpider 394384 PDB DTM BE0000330 Dihydrofolate reductase Human # 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 unknown Dihydrofolate reductase Coenzyme transport and metabolism DHFR 5q11.2-q13.2 None 7.6 21322.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2861 GenAtlas DHFR GeneCards DHFR GenBank Gene Database J00140 GenBank Protein Database 182724 UniProtKB P00374 UniProt Accession DYR_HUMAN EC 1.5.1.3 >Dihydrofolate reductase VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSI PEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSV YKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFE VYEKND >564 bp ATGGTTGGTTCGCTAAACTGCATCGTCGCTGTGTCCCAGAACATGGGCATCGGCAAGAAC GGGGACCTGCCCTGGCCACCGCTCAGGAATGAATTCAGATATTTCCAGAGAATGACCACA ACCTCTTCAGTAGAAGGTAAACAGAATCTGGTGATTATGGGTAAGAAGACCTGGTTCTCC ATTCCTGAGAAGAATCGACCTTTAAAGGGTAGAATTAATTTAGTTCTCAGCAGAGAACTC AAGGAACCTCCACAAGGAGCTCATTTTCTTTCCAGAAGTCTAGATGATGCCTTAAAACTT ACTGAACAACCAGAATTAGCAAATAAAGTAGACATGGTCTGGATAGTTGGTGGCAGTTCT GTTTATAAGGAAGCCATGAATCACCCAGGCCATCTTAAACTATTTGTGACAAGGATCATG CAAGACTTTGAAAGTGACACGTTTTTTCCAGAAATTGATTTGGAGAAATATAAACTTCTG CCAGAATACCCAGGTGTTCTCTCTGATGTCCAGGAGGAGAAAGGCATTAAGTACAAATTT GAAGTATATGAGAAGAATGATTAA PF00186 DHFR_1 function oxidoreductase activity, acting on the CH-NH group of donors, NAD or NADP as acceptor function oxidoreductase activity function dihydrofolate reductase activity function cofactor binding function coenzyme binding function NADP binding function binding function catalytic activity function oxidoreductase activity, acting on the CH-NH group of donors process amino acid metabolism process amino acid and derivative metabolism process nucleotide biosynthesis process glycine biosynthesis process serine family amino acid metabolism process physiological process process glycine metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process metabolism process nucleotide metabolism process cellular metabolism "
owl:sameAs	?:EXPT01286

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