Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08011"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the benzo-1,3-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,3-dioxane ring.
Benzo-1,3-dioxanes
Organic Compounds
Heterocyclic Compounds
Benzodioxanes
Benzo-1,3-dioxanes
Benzo-m-dioxins
Indoles and Derivatives
Fluorobenzenes
Alkyl Aryl Ethers
Aryl Fluorides
Tertiary Carboxylic Acid Amides
Oximes
Tertiary Amines
Acetals
Carboxylic Acids
Polyamines
Dialkyl Ethers
Organofluorides
alkyl aryl ether
fluorobenzene
aryl fluoride
benzene
aryl halide
tertiary carboxylic acid amide
carboxamide group
tertiary amine
oxime
acetal
polyamine
ether
dialkyl ether
carboxylic acid
carboxylic acid derivative
organohalogen
organofluoride
amine
organonitrogen compound
logP
1.62
ALOGPS
logS
-3.9
ALOGPS
Water Solubility
4.46e-02 g/l
ALOGPS
logP
2.49
ChemAxon
IUPAC Name
(3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
ChemAxon
Traditional IUPAC Name
(3E)-5-fluoro-1-[(6-fluoro-2,4-dihydro-1,3-benzodioxin-8-yl)methyl]-3-(hydroxyimino)indol-2-one
ChemAxon
Molecular Weight
346.285
ChemAxon
Monoisotopic Weight
346.076513292
ChemAxon
SMILES
O\N=C1\C(=O)N(CC2=C3OCOCC3=CC(F)=C2)C2=CC=C(F)C=C12
ChemAxon
Molecular Formula
C17H12F2N2O4
ChemAxon
InChI
InChI=1S/C17H12F2N2O4/c18-11-1-2-14-13(5-11)15(20-23)17(22)21(14)6-9-3-12(19)4-10-7-24-8-25-16(9)10/h1-5,23H,6-8H2/b20-15+
ChemAxon
InChIKey
InChIKey=DXIHOIDYHQSQKJ-HMMYKYKNSA-N
ChemAxon
Polar Surface Area (PSA)
71.36
ChemAxon
Refractivity
83.33
ChemAxon
Polarizability
31.01
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
5.64
ChemAxon
pKa (strongest basic)
-3.8
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
46937116
PubChem Substance
99444482
PDB
J72
BE0001097
Mitogen-activated protein kinase 10
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
Mitogen-activated protein kinase 10
Involved in MAP kinase activity
Responds to activation by environmental stress and pro- inflammatory cytokines by phosphorylating a number of transcription factors, primarily components of AP-1 such as c-Jun and ATF2 and thus regulates AP-1 transcriptional activity. Required for stress-induced neuronal apoptosis and the pathogenesis of glutamate excitotoxicity
MAPK10
4q22.1-q23
Cytoplasm
None
6.78
52586.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6872
GenAtlas
MAPK10
GeneCards
MAPK10
GenBank Gene Database
U07620
GenBank Protein Database
468151
UniProtKB
P53779
UniProt Accession
MK10_HUMAN
c-Jun N-terminal kinase 3
EC 2.7.11.24
MAP kinase p49 3F12
Stress-activated protein kinase JNK3
>Mitogen-activated protein kinase 10
MSLHFLYYCSEPTLDVKIAFCQGFDKQVDVSYIAKHYNMSKSKVDNQFYSVEVGDSTFTV
LKRYQNLKPIGSGAQGIVCAAYDAVLDRNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNH
KNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHL
HSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGY
KENVDIWSVGCIMGEMVRHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRNYVEN
RPKYAGLTFPKLFPDSLFPADSEHNKLKASQARDLLSKMLVIDPAKRISVDDALQHPYIN
VWYDPAEVEAPPPQIYDKQLDEREHTIEEWKELIYKEVMNSEEKTKNGVVKGQPSPSGAA
VNSSESLPPSSSVNDISSMSTDQTLASDTDSSLEASAGPLGCCR
>1395 bp
ATGAGCCTCCATTTCTTATACTACTGCAGTGAACCAACATTGGATGTGAAAATTGCCTTT
TGTCAGGGATTCGATAAACAAGTGGATGTGTCATATATTGCCAAACATTACAACATGAGC
AAAAGCAAAGTTGACAACCAGTTCTACAGTGTGGAAGTGGGAGACTCAACCTTCACAGTT
CTCAAGCGCTACCAGAATCTAAAGCCTATTGGCTCTGGGGCTCAGGGCATAGTTTGTGCC
GCGTATGATGCTGTCCTTGACAGAAATGTGGCCATTAAGAAGCTCAGCAGACCCTTTCAG
AACCAAACACATGCCAAGAGAGCGTACCGGGAGCTGGTCCTCATGAAGTGTGTGAACCAT
AAAAACATTATTAGTTTATTAAATGTCTTCACACCCCAGAAAACGCTGGAGGAGTTCCAA
GATGTTTACTTAGTAATGGAACTGATGGATGCCAACTTATGTCAAGTGATTCAGATGGAA
TTAGACCATGAGCGAATGTCTTACCTGCTGTACCAAATGTTGTGTGGCATTAAGCACCTC
CATTCTGCTGGAATTATTCACAGGGATTTAAAACCAAGTAACATTGTAGTCAAGTCTGAT
TGCACATTGAAAATCCTGGACTTTGGACTGGCCAGGACAGCAGGCACAAGCTTCATGATG
ACTCCATATGTGGTGACACGTTATTACAGAGCCCCTGAGGTCATCCTGGGGATGGGCTAC
AAGGAGAACGTGGATATATGGTCTGTGGGATGCATTATGGGAGAAATGGTTCGCCACAAA
ATCCTCTTTCCAGGAAGGGACTATATTGACCAGTGGAATAAGGTAATTGAACAACTAGGA
ACACCATGTCCAGAATTCATGAAGAAATTGCAACCCACAGTAAGAAACTATGTGGAGAAT
CGGCCCAAGTATGCGGGACTCACCTTCCCCAAACTCTTCCCAGATTCCCTCTTCCCAGCG
GACTCCGAGCACAATAAACTCAAAGCCAGCCAAGCCAGGGACTTGTTGTCAAAGATGCTA
GTGATTGACCCAGCAAAAAGAATATCAGTGGACGACGCCTTACAGCATCCCTACATCAAC
GTCTGGTATGACCCAGCCGAAGTGGAGGCGCCTCCACCTCAGATATATGACAAGCAGTTG
GATGAAAGAGAACACACAATTGAAGAATGGAAAGAACTTATCTACAAGGAAGTAATGAAT
TCAGAAGAAAAGACTAAAAATGGTGTAGTAAAAGGACAGCCTTCTCCTTCAGGTGCAGCA
GTGAACAGCAGTGAGAGTCTCCCTCCATCCTCGTCTGTCAATGACATCTCCTCCATGTCC
ACCGACCAGACCCTGGCATCTGACACTGACAGCAGCCTGGAAGCCTCGGCAGGACCCCTG
GGTTGTTGCAGGTGA
PF00069
Pkinase
function
protein serine/threonine kinase activity
function
receptor signaling protein serine/threonine kinase activity
function
nucleotide binding
function
MAP kinase activity
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
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object