Details of the Drug

General Information of Drug (ID: DMLO2QY)

Drug Name
Z-321
Synonyms 1-[3-(2-Indanylacetyl)thiazolidin-4(R)-ylcarbonyl]pyrrolidine; 1-[N-(2-Indanylacetyl)-4-thia-L-prolyl]pyrrolidine
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 344.5
Topological Polar Surface Area (xlogp) 2.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H24N2O2S
IUPAC Name
2-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
Canonical SMILES
C1CCN(C1)C(=O)[C@@H]2CSCN2C(=O)CC3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H24N2O2S/c22-18(11-14-9-15-5-1-2-6-16(15)10-14)21-13-24-12-17(21)19(23)20-7-3-4-8-20/h1-2,5-6,14,17H,3-4,7-13H2/t17-/m0/s1
InChIKey
GDOVFSONSLOIAK-KRWDZBQOSA-N
Cross-matching ID
PubChem CID
9798234
CAS Number
130849-58-0
TTD ID
D08RUX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prolyl endopeptidase (PREP) TTNGKET PPCE_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Parkinson disease
ICD Disease Classification 8A00.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prolyl endopeptidase (PREP) DTT PREP 5.70E-01 -0.09 -0.33
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003089)
2 Z-321, a prolyl endopeptidase inhibitor, augments the potentiation of synaptic transmission in rat hippocampal slices. Behav Brain Res. 1997 Feb;83(1-2):213-6.
3 Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor. Bioorg Med Chem. 2008 Aug 1;16(15):7516-24.
4 The effects of ALV003 pre-digestion of gluten on immune response and symptoms in celiac disease in vivo. Clin Immunol. 2010 Mar;134(3):289-95.
5 ONO-1603, a potential antidementia drug, shows neuroprotective effects and increases m3-muscarinic receptor mRNA levels in differentiating rat cerebellar granule neurons. Neurosci Lett. 1996 Aug 23;214(2-3):151-4.
6 Effect of S 17092, a novel prolyl endopeptidase inhibitor, on substance P and alpha-melanocyte-stimulating hormone breakdown in the rat brain. J Neurochem. 2003 Mar;84(5):919-29.
7 A novel prolyl endopeptidase inhibitor, JTP-4819, with potential for treating Alzheimer's disease. Behav Brain Res. 1997 Feb;83(1-2):147-51.
8 Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors. J Med Chem. 2010 May 13;53(9):3423-38.
9 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
10 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.