Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04476"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Trencam-3,2-Hopo"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the salicylamides. These are carboxamide derivatives of salicylic acid.
Salicylamides
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Benzoic Acid and Derivatives
Benzamides
Benzoyl Derivatives
Catechols
Primary Carboxylic Acid Amides
Polyols
Carboxylic Acids
Polyamines
Enols
Enolates
benzoyl
1,2-diphenol
phenol derivative
polyol
carboxamide group
primary carboxylic acid amide
polyamine
enolate
enol
carboxylic acid derivative
carboxylic acid
amine
organonitrogen compound
logP
0.42
ALOGPS
logS
-1.4
ALOGPS
Water Solubility
6.71e+00 g/l
ALOGPS
logP
0.87
ChemAxon
IUPAC Name
2,3-dihydroxybenzamide
ChemAxon
Traditional IUPAC Name
trencam-3,2-hopo
ChemAxon
Molecular Weight
153.1354
ChemAxon
Monoisotopic Weight
153.042593095
ChemAxon
SMILES
NC(=O)C1=CC=CC(O)=C1O
ChemAxon
Molecular Formula
C7H7NO3
ChemAxon
InChI
InChI=1S/C7H7NO3/c8-7(11)4-2-1-3-5(9)6(4)10/h1-3,9-10H,(H2,8,11)
ChemAxon
InChIKey
InChIKey=QCIDBNKTKNBPKM-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
83.55
ChemAxon
Refractivity
39.1
ChemAxon
Polarizability
14.14
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.32
ChemAxon
pKa (strongest basic)
-1.9
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
449146
PubChem Substance
46505284
PDB
DB1
BE0001084
Neutrophil gelatinase-associated lipocalin
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
Neutrophil gelatinase-associated lipocalin
Involved in lipophilic molecule transport
Transport of small lipophilic substances (Potential)
LCN2
9q34
Secreted protein
None
9.24
22588.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:6526
GenAtlas
LCN2
GeneCards
LCN2
GenBank Gene Database
X83006
GenBank Protein Database
929657
UniProtKB
P80188
UniProt Accession
NGAL_HUMAN
25 kDa alpha-2-microglobulin-related subunit of MMP-9
Lipocalin-2
Neutrophil gelatinase-associated lipocalin precursor
NGAL
Oncogene 24p3
p25
>Neutrophil gelatinase-associated lipocalin precursor
MPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGKWYVVGLAGNA
ILREDKDPQKMYATIYELKEDKSYNVTSVLFRKKKCDYWIRTFVPGCQPGEFTLGNIKSY
PGLTSYLVRVVSTNYNQHAMVFFKKVSQNREYFKITLYGRTKELTSELKENFIRFSKSLG
LPENHIVFPVPIDQCIDG
>597 bp
ATGCCCCTAGGTCTCCTGTGGCTGGGCCTAGCCCTGTTGGGGGCTCTGCATGCCCAGGCC
CAGGACTCCACCTCAGACCTGATCCCAGCCCCACCTCTGAGCAAGGTCCCTCTGCAGCAG
AACTTCCAGGACAACCAATTCCAGGGGAAGTGGTATGTGGTAGGCCTGGCAGGGAATGCA
ATTCTCAGAGAAGACAAAGACCCGCAAAAGATGTATGCCACCATCTATGAGCTGAAAGAA
GACAAGAGCTACAATGTCACCTCCGTCCTGTTTAGGAAAAAGAAGTGTGACTACTGGATC
AGGACTTTTGTTCCAGGTTGCCAGCCCGGCGAGTTCACGCTGGGCAACATTAAGAGTTAC
CCTGGATTAACGAGTTACCTCGTCCGAGTGGTGAGCACCAACTACAACCAGCATGCTATG
GTGTTCTTTAAGAAAGTTTCTCAAAACAGGGAGTACTTCAAGATCACCCTCTACGGGAGA
ACCAAGGAGCTGACTTCGGAACTAAAGGAGAACTTCATCCGCTTCTCCAAATCTCTGGGC
CTCCCTGAAAACCACATCGTCTTCCCTGTCCCAATCGACCAGTGTATCGACGGCTGA
PF00061
Lipocalin
function
binding
function
transporter activity
process
physiological process
process
cellular physiological process
process
transport
"
|
| 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