Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02365"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,10-Phenanthroline"
|
| rdf:type | |
| drugbank:description |
"
66-71-7
experimental
Judith N. Burstyn, Omar Green, Bhavesh A. Gandhi, "BIS(2,9-DI-TERT-BUTYL-1,10-PHENANTHROLINE)COPPER(I) COMPLEXES, METHODS OF SYNTHESIS, AND USES THEROF." U.S. Patent US20080206890, issued August 28, 2008.
This compound belongs to the phenanthrolines. These are aromatic polycyclic compounds containing the phenanthroline skeleton, which is a derivative of phenanthrene, and consists of two pyridine rings non-linearly joined by a benzene ring.
Phenanthrolines
Organic Compounds
Heterocyclic Compounds
Phenanthrolines
Quinolines and Derivatives
Pyridines and Derivatives
Benzene and Substituted Derivatives
Polyamines
quinoline
benzene
pyridine
polyamine
organonitrogen compound
logP
2.31
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
1.32e-01 g/l
ALOGPS
logP
2.29
ChemAxon
IUPAC Name
1,10-phenanthroline
ChemAxon
Traditional IUPAC Name
1,10-phenanthroline
ChemAxon
Molecular Weight
180.2053
ChemAxon
Monoisotopic Weight
180.068748266
ChemAxon
SMILES
C1=CC2=CC=C3C=CC=NC3=C2N=C1
ChemAxon
Molecular Formula
C12H8N2
ChemAxon
InChI
InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
ChemAxon
InChIKey
InChIKey=DGEZNRSVGBDHLK-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
25.78
ChemAxon
Refractivity
53.9
ChemAxon
Polarizability
19.26
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
4.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
Water Solubility
2690 mg/L (at 25 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
117 °C
PhysProp
Boiling Point
> 300 °C
PhysProp
logP
1.78
HANSCH,C ET AL. (1995)
pKa
4.27 (at 20 °C)
ALBERT,A ET AL. (1948)
ChEBI
476
PubChem Compound
1318
PubChem Substance
46505260
KEGG Compound
C00604
ChemSpider
1278
PDB
PHN
BE0001434
Methyl-accepting chemotaxis protein II
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
# Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284
# Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423
# 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
Methyl-accepting chemotaxis protein II
Posttranslational modification, protein turnover, chaperones
Chemotactic-signal transducers respond to changes in the concentration of attractants and repellents in the environment, transduce a signal from the outside to the inside of the cell, and facilitate sensory adaptation through the variation of the level of methylation. Attractants increase the level of methylation while repellents decrease the level of methylation, the methyl groups are added by the methyltransferase cheR and removed by the methylesterase cheB
tar
Cell inner membrane; multi-pass membrane protein
7-33
191-211
4.83
59615.0
Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
GenBank Gene Database
J01809
UniProtKB
P02941
UniProt Accession
MCP2_SALTY
Aspartate chemoreceptor protein
MCP-II
>Methyl-accepting chemotaxis protein II
MFNRIRVVTMLMMVLGVFALLQLVSGGLLFSSLQHNQQGFVISNELRQQQSELTSTWDLM
LQTRINLSRSAARMMMDASNQQSSAKTDLLQNAKTTLAQAAAHYANFKNMTPLPAMAEAS
ANVDEKYQRYQAALAELIQFLDNGNMDAYFAQPTQGMQNALGEALGNYARVSENLYRQTF
DQSAHDYRFAQWQLGVLAVVLVLILMVVWFGIRHALLNPLARVITHIREIASGDLTKTLT
VSGRNEIGELAGTVEHMQRSLIDTVTQVREGSDAIYSGTSEIAAGNTDLSSRTEQQASAL
EETAASMEQLTATVKQNADNARQASQLAQSASETARHGGKVVDGVVNTMHEIADSSKKIA
DIISVIDGIAFQTNILALNAAVEAARAGEQGRGFAVVAGEVRNLASRSAQAAKEIKALIE
DSVSRVDTGSVLVESAGETMTDIVNAVTRVTDIMGEIASASDEQSRGIDQVALAVSEMDR
VTQQNASLVQESAAAAAALEEQASRLTQAVSAFRLASRPLAVNKPEMRLSVNAQSGNTPQ
SLAARDDANWETF
PF00672
HAMP
PF00015
MCPsignal
PF02203
TarH
component
cell
component
membrane
function
signal transducer activity
function
receptor activity
function
transmembrane receptor activity
process
cellular process
process
cell communication
process
signal transduction
process
response to stimulus
process
response to abiotic stimulus
process
response to chemical stimulus
process
chemotaxis
BE0003355
Metallo-beta-lactamase L1
Pseudomonas maltophilia
# 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
Metallo-beta-lactamase L1
Involved in zinc ion binding
Has a high activity against imipenem
Periplasm (Potential)
None
6.92
30801.0
Pseudomonas maltophilia
GenBank Gene Database
X75074
UniProtKB
P52700
UniProt Accession
BLA1_STEMA
Beta-lactamase type II
EC 3.5.2.6
Metallo-beta-lactamase L1 precursor
Penicillinase
>Metallo-beta-lactamase L1
MRSTLLAFALAVALPAAHTSAAEVPLPQLRAYTVDASWLQPMAPLQIADHTWQIGTEDLT
ALLVQTPDGAVLLDGGMPQMASHLLDNMKARGVTPRDLRLILLSHAHADHAGPVAELKRR
TGAKVAANAESAVLLARGGSDDLHFGDGITYPPANADRIVMDGEVITVGGIVFTAHFMAG
HTPGSTAWTWTDTRNGKPVRIAYADSLSAPGYQLQGNPRYPHLIEDYRRSFATVRALPCD
VLLTPHPGASNWDYAAGARAGAKALTCKAYADAAEQKFDGQLAKETAGAR
>873 bp
ATGCGTTCTACCCTGCTCGCCTTCGCCCTGGCCGTCGCTCTTCCGGCCGCCCACACCAGC
GCCGCCGAAGTACCACTGCCGCAGCTGCGGGCCTACACCGTGGACGCCTCGTGGCTGCAG
CCGATGGCACCGCTGCAGATCGCCGACCACACCTGGCAGATCGGCACCGAGGACCTGACC
GCGCTGCTTGTGCAGACCCCCGACGGCGCGGTGCTGCTCGACGGCGGCATGCCGCAGATG
GCCAGCCACCTGCTGGACAACATGAAGGCGCGTGGCGTGACGCCTCGGGATCTGCGGCTG
ATCCTGCTCAGCCACGCACACGCCGACCATGCCGGACCGGTGGCGGAGCTGAAGCGCCGT
ACGGGCGCCAAAGTGGCGGCCAACGCCGAATCGGCGGTGCTGCTGGCGCGTGGCGGCAGC
GATGACCTGCACTTCGGCGATGGCATCACCTACCCGCCTGCCAATGCAGACCGCATCGTC
ATGGATGGTGAAGTGATCACGGTGGGCGGCATCGTGTTCACCGCGCACTTCATGGCGGGG
CACACCCCGGGCAGCACCGCGTGGACCTGGACCGATACCCGCAATGGCAAGCCGGTGCGC
ATCGCCTACGCCGACAGCCTGAGTGCACCGGGCTACCAGCTGCAGGGAAACCCCCGTTAT
CCGCACCTGATCGAGGATTACAGGCGCAGCTTCGCGACGGTGCGGGCGCTGCCTTGCGAC
GTGTTGCTGACACCGCATCCGGGTGCCAGCAACTGGGACTACGCCGCGGGTGCCAGGGCC
GGTGCCAAGGCACTGACCTGCAAGGCCTACGCGGATGCGGCAGAACAGAAATTCGACGGG
CAGCTGGCCAAGGAAACGGCCGGGGCCCGCTGA
PF00753
Lactamase_B
function
hydrolase activity
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
function
hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
function
beta-lactamase activity
function
catalytic activity
process
physiological process
process
drug metabolism
process
metabolism
process
antibiotic metabolism
process
cellular metabolism
process
antibiotic catabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object