Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02463"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-(2-Hydroxy-Phenyl)-1h-Indole-5-Carboxamidine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Stilbenes
Organic Compounds
Phenylpropanoids and Polyketides
Stilbenes
Phenylpyrroles
Indoles
Phenols and Derivatives
Polyamines
Enols
Carboxamidines
2-phenylpyrrole
indole or derivative
indole
phenol derivative
benzene
substituted pyrrole
pyrrole
amidine
polyamine
carboxylic acid amidine
enol
amine
organonitrogen compound
logP
0.79
ALOGPS
logS
-4.1
ALOGPS
Water Solubility
2.25e-02 g/l
ALOGPS
logP
1.77
ChemAxon
IUPAC Name
{amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium
ChemAxon
Traditional IUPAC Name
{amino[2-(2-hydroxyphenyl)-1H-indol-5-yl]methylidene}azanium
ChemAxon
Molecular Weight
252.2912
ChemAxon
Monoisotopic Weight
252.113687085
ChemAxon
SMILES
NC(=[NH2+])C1=CC2=C(NC(=C2)C2=CC=CC=C2O)C=C1
ChemAxon
Molecular Formula
C15H14N3O
ChemAxon
InChI
InChI=1S/C15H13N3O/c16-15(17)9-5-6-12-10(7-9)8-13(18-12)11-3-1-2-4-14(11)19/h1-8,18-19H,(H3,16,17)/p+1
ChemAxon
InChIKey
InChIKey=JPGNPKIYCTXJPG-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
87.63
ChemAxon
Refractivity
86.61
ChemAxon
Polarizability
28.04
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
9.64
ChemAxon
pKa (strongest basic)
11.23
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
1507
PubChem Substance
46504567
ChemSpider
1457
BindingDB
13942
PDB
124
BE0001739
Trypsin-1
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
Trypsin-1
Involved in protease activity
Preferential cleavage:Arg-|-Xaa, Lys-|-Xaa
PRSS1
7q32-qter|7q34
Secreted protein; extracellular space
None
6.48
26558.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9475
GenAtlas
PRSS1
GeneCards
PRSS1
GenBank Gene Database
M22612
GenBank Protein Database
521216
UniProtKB
P07477
UniProt Accession
TRY1_HUMAN
Cationic trypsinogen
EC 3.4.21.4
Serine protease 1
Trypsin I
Trypsin-1 precursor
>Trypsin-1 precursor
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
>744 bp
ATGAATCCACTCCTGATCCTTACCTTTGTGGCAGCTGCTCTTGCTGCCCCCTTTGATGAT
GATGACAAGATCGTTGGGGGCTACAACTGTGAGGAGAATTCTGTCCCCTACCAGGTGTCC
CTGAATTCTGGCTACCACTTCTGTGGTGGCTCCCTCATCAACGAACAGTGGGTGGTATCA
GCAGGCCACTGCTACAAGTCCCGCATCCAGGTGAGACTGGGAGAGCACAACATCGAAGTC
CTGGAGGGGAATGAGCAGTTCATCAATGCAGCCAAGATCATCCGCCACCCCCAATACGAC
AGGAAGACTCTGAACAATGACATCATGTTAATCAAGCTCTCCTCACGTGCAGTAATCAAC
GCCCGCGTGTCCACCATCTCTCTGCCCACCGCCCCTCCAGCCACTGGCACGAAGTGCCTC
ATCTCTGGCTGGGGCAACACTGCGAGCTCTGGCGCCGACTACCCAGACGAGCTGCAGTGC
CTGGATGCTCCTGTGCTGAGCCAGGCTAAGTGTGAAGCCTCCTACCCTGGAAAGATTACC
AGCAACATGTTCTGTGTGGGCTTCCTTGAGGGAGGCAAGGATTCATGTCAGGGTGATTCT
GGTGGCCCTGTGGTCTGCAATGGACAGCTCCAAGGAGTTGTCTCCTGGGGTGATGGCTGT
GCCCAGAAGAACAAGCCTGGAGTCTACACCAAGGTCTACAACTACGTGAAATGGATTAAG
AACACCATAGCTGCCAATAGCTAA
PF00089
Trypsin
function
catalytic activity
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
serine-type endopeptidase activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object