Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08424"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"[5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
Phenylpyrazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Pyrazoles
Acetophenones
Benzoyl Derivatives
Phenol Ethers
Alkyl Aryl Ethers
Fluorobenzenes
Primary Aromatic Amines
Aryl Fluorides
Ketones
1,2-Diols
Secondary Alcohols
Polyamines
Primary Alcohols
Enolates
Organofluorides
acetophenone
phenol ether
benzoyl
fluorobenzene
alkyl aryl ether
aryl halide
primary aromatic amine
aryl fluoride
benzene
secondary alcohol
1,2-diol
ketone
polyamine
enolate
ether
primary alcohol
carbonyl group
organofluoride
amine
primary amine
organohalogen
alcohol
organonitrogen compound
logP
1.58
ALOGPS
logS
-3.6
ALOGPS
Water Solubility
9.90e-02 g/l
ALOGPS
logP
2.09
ChemAxon
IUPAC Name
(2S)-3-(3-{[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol
ChemAxon
Traditional IUPAC Name
(2S)-3-(3-{[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]carbonyl}phenoxy)propane-1,2-diol
ChemAxon
Molecular Weight
371.3623
ChemAxon
Monoisotopic Weight
371.128134284
ChemAxon
SMILES
[H][C@](O)(CO)COC1=CC(=CC=C1)C(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1
ChemAxon
Molecular Formula
C19H18FN3O4
ChemAxon
InChI
InChI=1S/C19H18FN3O4/c20-13-4-6-14(7-5-13)23-19(21)17(9-22-23)18(26)12-2-1-3-16(8-12)27-11-15(25)10-24/h1-9,15,24-25H,10-11,21H2/t15-/m0/s1
ChemAxon
InChIKey
InChIKey=IJDQETGUEUJVTB-HNNXBMFYSA-N
ChemAxon
Polar Surface Area (PSA)
110.6
ChemAxon
Refractivity
97.88
ChemAxon
Polarizability
37.61
ChemAxon
Rotatable Bond Count
7
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
13.62
ChemAxon
pKa (strongest basic)
2.18
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
ChEBI
45116
PubChem Compound
5327067
PubChem Substance
99444895
ChemSpider
4484325
PDB
PQB
BE0001019
Mitogen-activated protein kinase 14
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 14
Involved in MAP kinase activity
Responds to activation by environmental stress, pro- inflammatory cytokines and lipopolysaccharide (LPS) by phosphorylating a number of transcription factors, such as ELK1 and ATF2 and several downstream kinases, such as MAPKAPK2 and MAPKAPK5. Plays a critical role in the production of some cytokines, for example IL-6. May play a role in stabilization of EPO mRNA during hypoxic stress. Isoform Mxi2 activation is stimulated by mitogens and oxidative stress and only poorly phosphorylates ELK1 and ATF2. Isoform Exip may play a role in the early onset of apoptosis
MAPK14
6p21.3-p21.2
Cytoplasm. Nucleus (By similarity)
None
5.58
41294.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6876
GenAtlas
MAPK14
GeneCards
MAPK14
GenBank Gene Database
L35263
GenBank Protein Database
603917
UniProtKB
Q16539
UniProt Accession
MK14_HUMAN
CSAID-binding protein
CSBP
Cytokine suppressive anti-inflammatory drug-binding protein
EC 2.7.11.24
MAP kinase MXI2
MAP kinase p38 alpha
MAX-interacting protein 2
Mitogen-activated protein kinase p38 alpha
SAPK2A
>Mitogen-activated protein kinase 14
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQ
SIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ
KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVG
TPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA
QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
>1083 bp
ATGTCTCAGGAGAGGCCCACGTTCTACCGGCAGGAGCTGAACAAGACAATCTGGGAGGTG
CCCGAGCGTTACCAGAACCTGTCTCCAGTGGGCTCTGGCGCCTATGGCTCTGTGTGTGCT
GCTTTTGACACAAAAACGGGGTTACGTGTGGCAGTGAAGAAGCTCTCCAGACCATTTCAG
TCCATCATTCATGCGAAAAGAACCTACAGAGAACTGCGGTTACTTAAACATATGAAACAT
GAAAATGTGATTGGTCTGTTGGACGTTTTTACACCTGCAAGGTCTCTGGAGGAATTCAAT
GATGTGTATCTGGTGACCCATCTCATGGGGGCAGATCTGAACAACATTGTGAAATGTCAG
AAGCTTACAGATGACCATGTTCAGTTCCTTATCTACCAAATTCTCCGAGGTCTAAAGTAT
ATACATTCAGCTGACATAATTCACAGGGACCTAAAACCTAGTAATCTAGCTGTGAATGAA
GACTGTGAGCTGAAGATTCTGGATTTTGGACTGGCTCGGCACACAGATGATGAAATGACA
GGCTACGTGGCCACTAGGTGGTACAGGGCTCCTGAGATCATGCTGAACTGGATGCATTAC
AACCAGACAGTTGATATTTGGTCAGTGGGATGCATAATGGCCGAGCTGTTGACTGGAAGA
ACATTGTTTCCTGGTACAGACCATATTAACCAGCTTCAGCAGATTATGCGTCTGACAGGA
ACACCCCCCGCTTATCTCATTAACAGGATGCCAAGCCATGAGGCAAGAAACTATATTCAG
TCTTTGACTCAGATGCCGAAGATGAACTTTGCGAATGTATTTATTGGTGCCAATCCCCTG
GCTGTCGACTTGCTGGAGAAGATGCTTGTATTGGACTCAGATAAGAGAATTACAGCGGCC
CAAGCCCTTGCACATGCCTACTTTGCTCAGTACCACGATCCTGATGATGAACCAGTGGCC
GATCCTTATGATCAGTCCTTTGAAAGCAGGGACCTCCTTATAGATGAGTGGAAAAGCCTG
ACCTATGATGAAGTCATCAGCTTTGTGCCACCACCCCTTGACCAAGAAGAGATGGAGTCC
TGA
PF00069
Pkinase
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
function
protein serine/threonine kinase activity
process
protein modification
process
physiological process
process
metabolism
process
macromolecule metabolism
process
biopolymer metabolism
process
protein amino acid phosphorylation
process
biopolymer modification
"
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All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object