Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03087"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-(Sec-Butyl)Thiazole"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms.
Thiazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Thiazoles
Polyamines
polyamine
organonitrogen compound
logP
3.06
ALOGPS
logS
-2.3
ALOGPS
Water Solubility
6.67e-01 g/l
ALOGPS
logP
2.44
ChemAxon
IUPAC Name
2-[(2R)-butan-2-yl]-1,3-thiazole
ChemAxon
Traditional IUPAC Name
2-(sec-butyl)thiazole
ChemAxon
Molecular Weight
141.234
ChemAxon
Monoisotopic Weight
141.061220047
ChemAxon
SMILES
CC[C@@H](C)C1=NC=CS1
ChemAxon
Molecular Formula
C7H11NS
ChemAxon
InChI
InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3/t6-/m1/s1
ChemAxon
InChIKey
InChIKey=MHJSWOZJMPIGJQ-ZCFIWIBFSA-N
ChemAxon
Polar Surface Area (PSA)
12.89
ChemAxon
Refractivity
39.51
ChemAxon
Polarizability
15.76
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
3.34
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5289510
PubChem Substance
46504943
PDB
TZL
BE0004320
Epididymal-specific lipocalin-9
Human
# 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
Epididymal-specific lipocalin-9
Involved in pheromone binding
LCN9
9q34.3
Secreted
None
5.62
21807.5
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:17442
GeneCards
LCN9
GenBank Gene Database
AY301270
GenBank Protein Database
34761575
UniProtKB
Q8WX39
UniProt Accession
LCN9_HUMAN
MUP-like lipocalin
>Epididymal-specific lipocalin-9
MALLLLSLGLSLIAAQEFDPHTVMQRNYNVARVSGVWYSIFMASDDLNRIKENGDLRVFV
RNIEHLKNGSLIFDFEYMVQGECVAVVVVCEKTEKNGEYSINYEGQNTVAVSETDYRLFI
TFHLQNFRNGTETHTLALYGTSALEPSFLSRFEETCEKYGLGSQNIIDLTNKDPCYSKHY
RSPPRPPMRW
PF00061
Lipocalin
function
transporter activity
function
odorant binding
function
pheromone binding
function
binding
process
cellular physiological process
process
transport
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