Details of the Drug

General Information of Drug (ID: DMX8ZAQ)

Drug Name
Paliroden
Synonyms SR-57667; SR-57667B
Indication
Disease Entry ICD 11 Status REF
Parkinson disease 8A00.0 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 407.5
Logarithm of the Partition Coefficient (xlogp) 6.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C26H24F3N
IUPAC Name
1-[2-(4-phenylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Canonical SMILES
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24F3N/c27-26(28,29)25-8-4-7-24(19-25)23-14-17-30(18-15-23)16-13-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-12,14,19H,13,15-18H2
InChIKey
CNEWKIDCGDXBDE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11567682
CAS Number
188396-77-2
DrugBank ID
DB05454
TTD ID
D05KVC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA 2 (GRIA2) TT9HLZ0 GRIA2_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
Glutamate receptor AMPA 2 (GRIA2) DTT GRIA2 8.57E-01 -0.08 -0.14
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00285025) Study of the Effect of SR57667B in Patients With Alzheimer's Disease. U.S. National Institutes of Health.
2 Mechanism of inhibition of the GluA2 AMPA receptor channel opening by talampanel and its enantiomer: the stereochemistry of the 4-methyl group on the diazepine ring of 2,3-benzodiazepine derivatives.ACS Chem Neurosci.2013 Apr 17;4(4):635-44.