Details of the Drug

General Information of Drug (ID: DMSR7D2)

Drug Name
CX-516
Synonyms
Ampalex; BDP 12; CX 516; CX516; BDP-12; SPD-420; Piperidin-1-yl(quinoxalin-6-yl)methanone; 1-(6-Quinoxalinylcarbonyl)piperidine; 1-(6-quinoxalinylcarbonyl)-Piperidine; 1-(quinoxalin-6-ylcarbonyl)piperidine; 6-(piperidin-1-ylcarbonyl)quinoxaline
Indication
Disease Entry ICD 11 Status REF
Pervasive developmental disorder 6A00-6A0Z Phase 2/3 [1]
Schizophrenia 6A20 Phase 2/3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 241.29
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H15N3O
IUPAC Name
piperidin-1-yl(quinoxalin-6-yl)methanone
Canonical SMILES
C1CCN(CC1)C(=O)C2=CC3=NC=CN=C3C=C2
InChI
InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
InChIKey
ANDGGVOPIJEHOF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
148184
ChEBI ID
CHEBI:34605
CAS Number
154235-83-3
TTD ID
D03DHQ
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor AMPA (GRIA) TTAN6JD NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pervasive developmental disorder
ICD Disease Classification 6A00-6A0Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glutamate receptor AMPA (GRIA) DTT NO-GeName 9.57E-01 -0.39 -0.21
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: 4165).
2 Autism spectrum disorders: emerging pharmacotherapy. Expert Opin Emerg Drugs. 2005 Aug;10(3):521-36.