Details of the Drug

General Information of Drug (ID: DM4K9WH)

Drug Name
R1678
Synonyms R-1678; RG-1678
Indication
Disease Entry ICD 11 Status REF
Schizophrenia 6A20 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 342.3
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C22H14O4
IUPAC Name
1-[4-(2-oxo-2-phenylacetyl)phenyl]-2-phenylethane-1,2-dione
Canonical SMILES
C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H14O4/c23-19(15-7-3-1-4-8-15)21(25)17-11-13-18(14-12-17)22(26)20(24)16-9-5-2-6-10-16/h1-14H
InChIKey
FUEGWHHUYNHBNI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
137905
CAS Number
3363-97-1
TTD ID
D0B6IZ
VARIDT ID
DR01039

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glycine transporter GlyT-1 (SLC6A9) TTHJTF7 SC6A9_HUMAN Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 06 Mental, behavioural or neurodevelopmental disorder
Disease Class ICD-11: 6A20 Schizophrenia
The Studied Tissue Pre-frontal cortex
The Studied Disease Schizophrenia [ICD-11:6A20]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glycine transporter GlyT-1 (SLC6A9) DTT SLC6A9 4.94E-01 -0.09 -0.34
Glycine transporter GlyT-1 (SLC6A9) DTT SLC6A9 1.64E-01 -0.03 -0.17
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7546).
2 Clinical pipeline report, company report or official report of Roche (2009).