Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04764"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"[4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(5-PHENETHYL- PYRIDIN-3-YL)-METHANONE"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
Phenylpiperidines
Organic Compounds
Heterocyclic Compounds
Piperidines
Phenylpiperidines
Piperidinecarboxylic Acids
N-Acylpiperidines
Pyridinecarboxylic Acids and Derivatives
Benzene and Substituted Derivatives
Tertiary Carboxylic Acid Amides
Tertiary Amines
Polyamines
Enolates
Carboxylic Acids
Monoalkylamines
piperidinecarboxylic acid
n-acyl-piperidine
pyridine carboxylic acid or derivative
pyridine
benzene
tertiary carboxylic acid amide
tertiary amine
carboxamide group
carboxylic acid derivative
carboxylic acid
enolate
polyamine
primary aliphatic amine
primary amine
amine
organonitrogen compound
logP
4.12
ALOGPS
logS
-5.7
ALOGPS
Water Solubility
8.03e-04 g/l
ALOGPS
logP
3.99
ChemAxon
IUPAC Name
[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
ChemAxon
Traditional IUPAC Name
[3-(1-{[5-(2-phenylethyl)pyridin-3-yl]carbonyl}piperidin-4-yl)phenyl]methanamine
ChemAxon
Molecular Weight
399.528
ChemAxon
Monoisotopic Weight
399.231062565
ChemAxon
SMILES
NCC1=CC=CC(=C1)C1CCN(CC1)C(=O)C1=CC(CCC2=CC=CC=C2)=CN=C1
ChemAxon
Molecular Formula
C26H29N3O
ChemAxon
InChI
InChI=1S/C26H29N3O/c27-17-21-7-4-8-24(15-21)23-11-13-29(14-12-23)26(30)25-16-22(18-28-19-25)10-9-20-5-2-1-3-6-20/h1-8,15-16,18-19,23H,9-14,17,27H2
ChemAxon
InChIKey
InChIKey=CCLHROFBSWWOQO-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
59.22
ChemAxon
Refractivity
122.37
ChemAxon
Polarizability
46.42
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
9.48
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
657077
PubChem Substance
46506605
ChemSpider
571285
PDB
PM2
BE0001474
Tryptase beta-2
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
Tryptase beta-2
Involved in protease activity
Tryptase is the major neutral protease present in mast cells and is secreted upon the coupled activation-degranulation response of this cell type
TPSB2
16p13.3
Secreted protein. Note=Released from the secretory granules upon mast cell activation
None
7.12
30515.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:14120
GenAtlas
TPSB2
GeneCards
TPSB2
GenBank Gene Database
M37488
GenBank Protein Database
179584
UniProtKB
P20231
UniProt Accession
TRYB2_HUMAN
EC 3.4.21.59
Tryptase beta-2 precursor
Tryptase II
Tryptase-2
>Tryptase beta-2 precursor
MLNLLLLALPVLASRAYAAPAPGQALQRVGIVGGQEAPRSKWPWQVSLRVHGPYWMHFCG
GSLIHPQWVLTAAHCVGPDVKDLAALRVQLREQHLYYQDQLLPVSRIIVHPQFYTAQIGA
DIALLELEEPVNVSSHVHTVTLPPASETFPPGMPCWVTGWGDVDNDERLPPPFPLKQVKV
PIMENHICDAKYHLGAYTGDDVRIVRDDMLCAGNTRRDSCQGDSGGPLVCKVNGTWLQAG
VVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKKP
>828 bp
ATGCTGAATCTGCTGCTGCTGGCGCTGCCCGTCCTGGCGAGCCGCGCCTACGCGGCCCCT
GCCCCAGGCCAGGCCCTGCAGCGAGTGGGCATCGTTGGGGGTCAGGAGGCCCCCAGGAGC
AAGTGGCCCTGGCAGGTGAGCCTGAGAGTCCACGGCCCATACTGGATGCACTTCTGCGGG
GGCTCCCTCATCCACCCCCAGTGGGTGCTGACCGCAGCGCACTGCGTGGGACCGGACGTC
AAGGATCTGGCCGCCCTCAGGGTGCAACTGCGGGAGCAGCACCTCTACTACCAGGACCAG
CTGCTGCCGGTCAGCAGGATCATCGTGCACCCACAGTTCTACACCGCCCAGATCGGAGCG
GACATCGCCCTGCTGGAGCTGGAGGAGCCGGTGAAGGTCTCCAGCCACGTCCACACGGTC
ACCCTGCCCCCTGCCTCAGAGACCTTCCCCCCGGGGATGCCGTGCTGGGTCACTGGCTGG
GGCGATGTGGACAATGATGAGCGCCTCCCACCGCCATTTCCTCTGAAGCAGGTGAAGGTC
CCCATAATGGAAAACCACATTTGTGACGCAAAATACCACCTTGGCGCCTACACGGGAGAC
GACGTCCGCATCGTCCGTGACGACATGCTGTGTGCCGGGAACACCCGGAGGGACTCATGC
CAGGGCGACTCCGGAGGGCCCCTGGTGTGCAAGGTGAATGGCACCTGGCTGCAGGCGGGC
GTGGTCAGCTGGGGCGAGGGCTGTGCCCAGCCCAACCGGCCTGGCATCTACACCCGTGTC
ACCTACTACTTGGACTGGATCCACCACTATGTCCCCAAAAAGCCGTGA
PF00089
Trypsin
function
endopeptidase activity
function
serine-type endopeptidase activity
function
catalytic activity
function
hydrolase activity
function
peptidase activity
process
proteolysis
process
physiological process
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object