Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04165"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the primary carboxylic acid amides. These are compounds comprising primary carboxylic acid amide functional group, with the general structure RC(=O)NH2.
Primary Carboxylic Acid Amides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Carboxylic Acid Derivatives
Polyamines
Enolates
Carboxylic Acids
carboxylic acid
enolate
polyamine
amine
organonitrogen compound
NERVOUS SYSTEM
ANTIEPILEPTICS
ANTIEPILEPTICS
Fatty acid derivatives
logP
2.38
ALOGPS
logS
-1.6
ALOGPS
Water Solubility
3.52e+00 g/l
ALOGPS
logP
1.99
ChemAxon
IUPAC Name
2-propylpentanamide
ChemAxon
Traditional IUPAC Name
valpromide
ChemAxon
Molecular Weight
143.2267
ChemAxon
Monoisotopic Weight
143.131014171
ChemAxon
SMILES
CCCC(CCC)C(N)=O
ChemAxon
Molecular Formula
C8H17NO
ChemAxon
InChI
InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)
ChemAxon
InChIKey
InChIKey=OMOMUFTZPTXCHP-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
43.09
ChemAxon
Refractivity
42.07
ChemAxon
Polarizability
17.37
ChemAxon
Rotatable Bond Count
5
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
17.09
ChemAxon
pKa (strongest basic)
0.13
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
71113
PubChem Substance
46508099
PDB
VPR
BE0001865
Limonene-1,2-epoxide hydrolase
Rhodococcus erythropolis
# 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
Limonene-1,2-epoxide hydrolase
Involved in limonene-1,2-epoxide hydrolase activity
Limonene-1,2-epoxide + H(2)O = limonene-1,2- diol
limA
None
4.21
16521.0
Rhodococcus erythropolis
GenBank Gene Database
Y18005
GenBank Protein Database
4160334
UniProtKB
Q9ZAG3
UniProt Accession
LIMA_RHOER
EC 3.3.2.8
>Limonene-1,2-epoxide hydrolase
MTSKIEQPRWASKDSAAGAASTPDEKIVLEFMDALTSNDAAKLIEYFAEDTMYQNMPLPP
AYGRDAVEQTLAGLFTVMSIDAVETFHIGSSNGLVYTERVDVLRALPTGKSYNLSILGVF
QLTEGKITGWRDYFDLREFEEAVDLPLRG
>450 bp
ATGACATCAAAGATCGAACAACCTCGCTGGGCGTCCAAGGACAGTGCCGCCGGCGCTGCC
TCGACTCCGGACGAAAAGATCGTTCTGGAGTTCATGGACGCACTGACCAGTAATGATGCT
GCAAAACTCATTGAGTACTTTGCAGAAGACACGATGTACCAGAACATGCCACTCCCCCCT
GCATACGGCCGCGACGCCGTCGAGCAAACTCTGGCTGGCCTGTTCACCGTCATGAGCATC
GATGCGGTGGAGACGTTCCATATCGGCTCGAGTAACGGACTTGTGTACACCGAACGTGTC
GATGTCCTACGCGCACTACCCACCGGCAAGAGCTACAACCTGTCAATCCTCGGAGTCTTC
CAGCTCACCGAGGGCAAGATTACGGGTTGGCGTGACTACTTCGATCTGCGCGAATTCGAA
GAAGCTGTCGACCTTCCCCTCCGCGGCTAA
PF07858
LEH
"
|
| rdfs:label |
"Valpromide"
|
| owl:sameAs | |
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object