Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08771"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
Fluorobenzenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Halobenzenes
Aryl Fluorides
Thiazolines
Polyamines
Carboxylic Acid Amides
Organofluorides
aryl fluoride
aryl halide
meta-thiazoline
carboxamide group
polyamine
carboxylic acid derivative
organofluoride
organohalogen
amine
organonitrogen compound
logP
3.02
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
8.91e-02 g/l
ALOGPS
logP
3.12
ChemAxon
IUPAC Name
(5R)-2-[(2-fluorophenyl)amino]-5-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-one
ChemAxon
Traditional IUPAC Name
(5R)-2-[(2-fluorophenyl)amino]-5-isopropyl-5H-1,3-thiazol-4-one
ChemAxon
Molecular Weight
252.308
ChemAxon
Monoisotopic Weight
252.073261943
ChemAxon
SMILES
[H][C@@]1(SC(NC2=C(F)C=CC=C2)=NC1=O)C(C)C
ChemAxon
Molecular Formula
C12H13FN2OS
ChemAxon
InChI
InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
ChemAxon
InChIKey
InChIKey=OJJBBNIYQKFZDK-SNVBAGLBSA-N
ChemAxon
Polar Surface Area (PSA)
41.46
ChemAxon
Refractivity
67.56
ChemAxon
Polarizability
25.48
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
5.72
ChemAxon
pKa (strongest basic)
-1.6
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
ChemSpider
24684429
PDB
ZMG
BE0000329
Corticosteroid 11-beta-dehydrogenase isozyme 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
Corticosteroid 11-beta-dehydrogenase isozyme 1
Lipid transport and metabolism
Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7- ketocholesterol to 7-beta-hydroxycholesterol
HSD11B1
1q32-q41
Endoplasmic reticulum; endoplasmic reticulum membrane; single-pass type II membrane protein
7-23
8.77
32270.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:5208
GenAtlas
HSD11B1
GeneCards
HSD11B1
GenBank Gene Database
M76665
GenBank Protein Database
179475
UniProtKB
P28845
UniProt Accession
DHI1_HUMAN
11-beta-HSD1
11-beta-hydroxysteroid dehydrogenase 1
11-DH
EC 1.1.1.146
>Corticosteroid 11-beta-dehydrogenase isozyme 1
AFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAHV
VVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNHI
TNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMVA
AYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEEC
ALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
>879 bp
ATGGCTTTTATGAAAAAATATCTCCTCCCCATTCTGGGGCTCTTCATGGCCTACTACTAC
TATTCTGCAAACGAGGAATTCAGACCAGAGATGCTCCAAGGAAAGAAAGTGATTGTCACA
GGGGCCAGCAAAGGGATCGGAAGAGAGATGGCTTATCATCTGGCGAAGATGGGAGCCCAT
GTGGTGGTGACAGCGAGGTCAAAAGAAACTCTACAGAAGGTGGTATCCCACTGCCTGGAG
CTTGGAGCAGCCTCAGCACACTACATTGCTGGCACCATGGAAGACATGACCTTCGCAGAG
CAATTTGTTGCCCAAGCAGGAAAGCTCATGGGAGGACTAGACATGCTCATTCTCAACCAC
ATCACCAACACTTCTTTGAATCTTTTTCATGATGATATTCACCATGTGCGCAAAAGCATG
GAAGTCAACTTCCTCAGTTACGTGGTCCTGACTGTAGCTGCCTTGCCCATGCTGAAGCAG
AGCAATGGAAGCATTGTTGTCGTCTCCTCTCTGGCTGGGAAAGTGGCTTATCCAATGGTT
GCTGCCTATTCTGCAAGCAAGTTTGCTTTGGATGGGTTCTTCTCCTCCATCAGAAAGGAA
TATTCAGTGTCCAGGGTCAATGTATCAATCACTCTCTGTGTTCTTGGCCTCATAGACACA
GAAACAGCCATGAAGGCAGTTTCTGGGATAGTCCATATGCAAGCAGCTCCAAAGGAGGAA
TGTGCCCTGGAGATCATCAAAGGGGGAGCTCTGCGCCAAGAAGAAGTGTATTATGACAGC
TCACTCTGGACCACTCTTCTGATCAGAAATCCATGCAGGAAGATCCTGGAATTTCTCTAC
TCAACGAGCTATAATATGGACAGATTCATAAACAAGTAG
PF00106
adh_short
function
catalytic activity
function
oxidoreductase activity
process
physiological process
process
metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object