Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07489"
| Predicate | Value (sorted: none) |
|---|---|
| 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
"
|
| rdfs:label |
"{[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object