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targets (2)
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Identification
Name 4-Nitrophenyl Phosphate
Accession Number DB04214 (EXPT00223)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories
  • Indicators and Reagents
  • Chromogenic Compounds
CAS number 330-13-2
Weight Average: 219.0887
Monoisotopic: 218.993273441
Chemical Formula C6H6NO6P
InChI Key InChIKey=XZKIHKMTEMTJQX-UHFFFAOYSA-N
InChI
InChI=1S/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
Plain Text
IUPAC Name
(4-nitrophenoxy)phosphonic acid
SMILES
OP(O)(=O)OC1=CC=C(C=C1)[N+]([O-])=O
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism
Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility 1.03e+00 g/l ALOGPS
logP 0.5 ALOGPS
logP 0.96 ChemAxon
logS -2.3 ALOGPS
pKa (strongest acidic) 1.78 ChemAxon
physiological charge -2 ChemAxon
hydrogen acceptor count 5 ChemAxon
hydrogen donor count 2 ChemAxon
polar surface area 112.58 ChemAxon
rotatable bond count 3 ChemAxon
refractivity 46.24 ChemAxon
polarizability 16.57 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C03360 Link_out
PubChem Compound 378 Link_out
PubChem Substance 46506564 Link_out
ChemSpider 369 Link_out
BindingDB 24514 Link_out
ChEBI 17440 Link_out
ChEMBL 17440 Link_out
HET 4NP Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Low molecular weight phosphotyrosine protein phosphatase

Pharmacological action: unknown

Acts on tyrosine phosphorylated proteins, low-MW aryl phosphates and natural and synthetic acyl phosphates. Isoform 3 does not possess phosphatase activity

Organism class: human
UniProt ID: P24666 Link_out
Gene: ACP1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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

2. Dual specificity protein phosphatase 23

Pharmacological action: unknown

Protein phosphatase that mediates dephosphorylation of proteins phosphorylated on Tyr and Ser/Thr residues. In vitro, it can dephosphorylate p44-ERK1 (MAPK3) but not p54 SAPK-beta (MAPK10) in vitro. Able to enhance activation of JNK and p38 (MAPK14)

Organism class: human
UniProt ID: Q9BVJ7 Link_out
Gene: DUSP23 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. 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
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:23