Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02016"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"R048-8071"
|
| rdf:type | |
| drugbank:description |
"
161582-11-2
experimental
This compound belongs to the benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
Benzophenones
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzophenones
Diphenylmethanes
Acetophenones
Phenol Ethers
Benzoyl Derivatives
Alkyl Aryl Ethers
Bromobenzenes
Fluorobenzenes
Aryl Bromides
Aryl Fluorides
Tertiary Amines
Ketones
Polyamines
Enolates
Organobromides
Organofluorides
acetophenone
phenol ether
benzoyl
bromobenzene
alkyl aryl ether
fluorobenzene
aryl halide
aryl fluoride
aryl bromide
ketone
tertiary amine
ether
enolate
polyamine
organofluoride
organobromide
amine
carbonyl group
organohalogen
organonitrogen compound
logP
5.57
ALOGPS
logS
-6.5
ALOGPS
Water Solubility
1.55e-04 g/l
ALOGPS
logP
6.4
ChemAxon
IUPAC Name
(6-{4-[(4-bromophenyl)carbonyl]-3-fluorophenoxy}hexyl)(methyl)(prop-2-en-1-yl)amine
ChemAxon
Traditional IUPAC Name
(6-{4-[(4-bromophenyl)carbonyl]-3-fluorophenoxy}hexyl)(methyl)prop-2-en-1-ylamine
ChemAxon
Molecular Weight
448.368
ChemAxon
Monoisotopic Weight
447.120919965
ChemAxon
SMILES
CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C
ChemAxon
Molecular Formula
C23H27BrFNO2
ChemAxon
InChI
InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3
ChemAxon
InChIKey
InChIKey=CMYCCJYVZIMDFU-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
29.54
ChemAxon
Refractivity
116.83
ChemAxon
Polarizability
46.06
ChemAxon
Rotatable Bond Count
12
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
9.42
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
1949
PubChem Substance
46505901
ChemSpider
1873
PDB
R71
BE0001466
Lanosterol synthase
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
unknown
Lanosterol synthase
Translation, ribosomal structure and biogenesis
Catalyzes the cyclization of (S)-2,3 oxidosqualene to lanosterol, a reaction that forms the sterol nucleus
LSS
None
6.6
83310.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6708
GenAtlas
LSS
GeneCards
LSS
GenBank Gene Database
U22526
GenBank Protein Database
951314
UniProtKB
P48449
UniProt Accession
ERG7_HUMAN
2,3-epoxysqualene--lanosterol cyclase
EC 5.4.99.7
OSC
Oxidosqualene--lanosterol cyclase
>Lanosterol synthase
MTEGTCLRRRGGPYKTEPATDLGRWRLNCERGRQTWTYLQDERAGREQTGLEAYALGLDT
KNYFKDLPKAHTAFEGALNGMTFYVGLQAEDGHWTGDYGGPLFLLPGLLITCHVARIPLP
AGYREEIVRYLRSVQLPDGGWGLHIEDKSTVFGTALNYVSLRILGVGPDDPDLVRARNIL
HKKGGAVAIPSWGKFWLAVLNVYSWEGLNTLFPEMWLFPDWAPAHPSTLWCHCRQVYLPM
SYCYAVRLSAAEDPLVQSLRQELYVEDFASIDWLAQRNNVAPDELYTPHSWLLRVVYALL
NLYEHHHSAHLRQRAVQKLYEHIVADDRFTKSISIGPISKTINMLVRWYVDGPASTAFQE
HVSRIPDYLWMGLDGMKMQGTNGSQIWDTAFAIQALLEAGGHHRPEFSSCLQKAHEFLRL
SQVPDNPPDYQKYYRQMRKGGFSFSTLDCGWIVSDCTAEALKAVLLLQEKCPHVTEHIPR
ERLCDAVAVLLNMRNPDGGFATYETKRGGHLLELLNPSEVFGDIMIDYTYVECTSAVMQA
LKYFHKRFPEHRAAEIRETLTQGLEFCRRQQRADGSWEGSWGVCFTYGTWFGLEAFACMG
QTYRDGTACAEVSRACDFLLSRQMADGGWGEDFESCEERRYLQSAQSQIHNTCWAMMGLM
AVRHPDIEAQERGVRCLLEKQLPNGDWPQENIAGVFNKSCAISYTSYRNIFPIWALGRFS
QLYPERALAGHP
>2199 bp
ATGACGGAGGGCACGTGTCTGCGGCGCCGAGGGGGCCCCTACAAGACCGAGCCCGCCACC
GACCTCGGCCGCTGGCGACTCAACTGCGAGAGGGGCCGGCAGACGTGGACCTACCTGCAG
GACGAGCGCGCCGGCCGCGAGCAGACCGGCCTGGAAGCCTACGCCCTGGGGCTGGACACC
AAGAATTACTTTAAGGACTTGCCCAAAGCCCACACCGCCTTTGAGGGGGCTCTGAACGGG
ATGACATTTTACGTGGGGCTGCAGGCTGAGGATGGGCACTGGACGGGTGATTATGGTGGC
CCACTTTTCCTCCTGCCAGGCCTCCTGATCACTTGCCACGTGGCACGCATCCCTCTGCCA
GCCGGATACAGAGAAGAGATTGTGCGGTACCTGCGGTCAGTGCAGCTCCCTGACGGTGGC
TGGGGCCTGCACATTGAGGATAAGTCCACCGTGTTTGGGACTGCGCTCAACTATGTGTCT
CTCAGAATTCTGGGTGTTGGGCCTGACGATCCTGACCTGGTACGAGCCCGGAACATTCTT
CACAAGAAAGGTGGTGCTGTGGCCATCCCCTCCTGGGGGAAGTTCTGGCTGGCTGTCCTG
AATGTTTACAGCTGGGAAGGCCTCAATACCCTGTTCCCAGAGATGTGGCTGTTTCCTGAC
TGGGCACCGGCACACCCCTCCACACTCTGGTGCCACTGCCGGCAGGTGTACCTGCCCATG
AGCTACTGCTACGCCGTTCGGCTGAGTGCCGCGGAAGACCCGCTGGTCCAGAGCCTCCGC
CAGGAGCTCTATGTGGAGGACTTCGCCAGCATTGACTGGCTGGCGCAGAGGAACAACGTG
GCCCCCGACGAGCTGTACACGCCCCACAGCTGGCTGCTCCGCGTGGTATATGCGCTCCTC
AACCTGTATGAGCACCACCACAGTGCCCACCTGCGGCAGCGGGCCGTGCAGAAGCTGTAT
GAACACATTGTGGCCGACGACCGATTCACCAAGAGCATCAGCATCGGCCCGATCTCGAAA
ACCATCAACATGCTTGTGCGCTGGTATGTGGACGGGCCCGCCTCCACTGCCTTCCAGGAG
CATGTCTCCAGAATCCCGGACTATCTCTGGATGGGCCTTGACGGCATGAAAATGCAGGGC
ACCAACGGCTCACAGATCTGGGACACCGCATTCGCCATCCAGGCTCTGCTTGAGGCGGGC
GGGCACCACAGGCCCGAGTTTTCGTCCTGCCTGCAGAAGGCTCATGAGTTCCTGAGGCTC
TCACAGGTCCCAGATAACCCTCCCGACTACCAGAAGTACTACCGCCAGATGCGCAAGGGT
GGCTTCTCCTTCAGTACGCTGGACTGCGGCTGGATCGTTTCTGACTGCACGGCTGAGGCC
TTGAAGGCTGTGCTGCTCCTGCAGGAGAAGTGTCCCCATGTCACCGAGCACATCCCCAGA
GAACGGCTCTGCGATGCTGTGGCTGTGCTGCTGAACATGAGAAATCCAGATGGAGGGTTC
GCCACCTATGAGACCAAGCGTGGGGGGCACTTGCTGGAGCTGCTGAACCCCTCGGAGGTC
TTCGGGGACATCATGATTGACTACACCTATGTGGAGTGCACCTCAGCCGTGATGCAGGCG
CTTAAGTATTTCCACAAGCGTTTCCCGGAGCACAGGGCAGCGGAGATCCGGGAGACCCTC
ACGCAGGGCTTAGAGTTCTGTCGGCGGCAGCAGAGGGCCGATGGCTCCTGGGAAGGCTCC
TGGGGAGTTTGCTTCACCTACGGCACCTGGTTTGGCCTGGAGGCCTTCGCCTGTATGGGG
CAGACCTACCGAGATGGGACTGCCTGTGCAGAGGTCTCCCGGGCCTGTGACTTCCTGCTG
TCCCGGCAGATGGCAGACGGAGGCTGGGGGGAGGACTTTGAGTCCTGCGAGGAGCGGCGT
TATTTGCAGAGTGCCCAGTCCCAGATCCATAACACATGCTGGGCCATGATGGGGCTGATG
GCCGTTCGGCATCCTGACATCGAGGCCCAGGAGAGAGGAGTCCGGTGTCTACTTGAGAAA
CAGCTCCCCAATGGCGACTGGCCGCAGGAAAACATTGCTGGGGTCTTCAACAAGTCCTGT
GCCATCTCCTACACGAGCTACAGGAACATCTTCCCCATCTGGGCCCTCGGCCGCTTCTCC
CAGCTGTACCCTGAGAGAGCCCTTGCTGGCCACCCCTGA
PF00432
Prenyltrans
function
catalytic activity
function
lyase activity
process
physiological process
process
metabolism
"
|
| 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