Details of the Drug

General Information of Drug (ID: DMKIZAL)

Drug Name
ONO-1603
Synonyms N-(4-Chlorobenzyl)-4-[2(S)-formylpyrrolidin-1-yl]-4-oxobutyramide
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.78
Topological Polar Surface Area (xlogp) 1.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H19ClN2O3
IUPAC Name
N-[(4-chlorophenyl)methyl]-4-[(2S)-2-formylpyrrolidin-1-yl]-4-oxobutanamide
Canonical SMILES
C1C[C@H](N(C1)C(=O)CCC(=O)NCC2=CC=C(C=C2)Cl)C=O
InChI
InChI=1S/C16H19ClN2O3/c17-13-5-3-12(4-6-13)10-18-15(21)7-8-16(22)19-9-1-2-14(19)11-20/h3-6,11,14H,1-2,7-10H2,(H,18,21)/t14-/m0/s1
InChIKey
KGDFDVHLEYUZLN-AWEZNQCLSA-N
Cross-matching ID
PubChem CID
9797271
TTD ID
D0F5JR

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 Cognitive impairment
ICD Disease Classification 6D71
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 800002119)
2 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.
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 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.
6 A novel prolyl endopeptidase inhibitor, JTP-4819, with potential for treating Alzheimer's disease. Behav Brain Res. 1997 Feb;83(1-2):147-51.
7 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.
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.