Details of the Drug

General Information of Drug (ID: DM3M1LA)

Drug Name
CP-809101
Synonyms PF-3246799; PHA-181731A; PHA-57378; PHA-670080; PNU-181731A; PNU-57378; PNU-57378E; 5-HT 2 agonists, Pharmacia
Indication
Disease Entry ICD 11 Status REF
Neurological disorder 6B60 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 304.77
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H17ClN4O
IUPAC Name
2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine
Canonical SMILES
C1CN(CCN1)C2=CN=CC(=N2)OCC3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2
InChIKey
PCWGGOVOEWHPMG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9901086
CAS Number
479683-64-2
TTD ID
D02YNH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Neurological disorder
ICD Disease Classification 6B60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
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. (Target id: 8).