Banner
targets (1)
for drugs
Identification
Name Thiorphan
Accession Number DB08626 (DB01654)
Type small molecule
Groups experimental
Description

A potent inhibitor of membrane metalloendopeptidase (enkephalinase). Thiorphan potentiates morphine-induced analgesia and attenuates naloxone-precipitated withdrawal symptoms.

Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Synonyms Not Available
Salts Not Available
Brand names
Name Company
THIORPHAN
Brand mixtures Not Available
Categories
  • Antihypertensive Agents
  • Protease Inhibitors
  • Vasodilator Agents
  • Anti-Arrhythmia Agents
CAS number 76721-89-6
Weight Average: 253.317
Monoisotopic: 253.077264041
Chemical Formula C12H15NO3S
InChI Key InChIKey=LJJKNPQAGWVLDQ-SNVBAGLBSA-N
InChI
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
Plain Text
IUPAC Name
2-[(2S)-2-benzyl-3-sulfanylpropanamido]acetic acid
SMILES
OC(=O)CNC(=O)[C@@H](CS)CC1=CC=CC=C1
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
Melting point Not Available
Experimental Properties Not Available
Predicted Properties
Property Value Source
water solubility ALOGPS
logP 0 ALOGPS
logP 1.46 ChemAxon Molconvert
logS 0 ALOGPS
pKa 10.09 ChemAxon Molconvert
hydrogen acceptor count 3 ChemAxon Molconvert
hydrogen donor count 3 ChemAxon Molconvert
polar surface area 66.4 ChemAxon Molconvert
rotatable bond count 6 ChemAxon Molconvert
refractivity 67.15 ChemAxon Molconvert
polarizability 25.93 ChemAxon Molconvert
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Compound C01619 Link_out
PubChem Compound 4369380 Link_out
PubChem Substance 99445097 Link_out
ChemSpider 3571959 Link_out
BindingDB 21641 Link_out
HET TIO Link_out
Wikipedia http://en.wikipedia.org/wiki/Thiorphan 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. Neprilysin

Pharmacological action: unknown
Actions: inhibitor

Thermolysin-like specificity, but is almost confined on acting on polypeptides of up to 30 amino acids. Biologically important in the destruction of opioid peptides such as Met- and Leu-enkephalins by cleavage of a Gly-Phe bond. Involved in the degradation of atrial natriuretic factor (ANF)

Organism class: human
UniProt ID: P08473 Link_out
Gene: MME Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. Pubmed

Comments
Drug created on September 15, 2010 15:33 / Updated on February 14, 2012 12:32