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
Logarithm of the Partition Coefficient (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.