Details of the Drug

General Information of Drug (ID: DMDQBAL)

• Drug Name: CP-293019
• Synonyms: CP-293019; CHEMBL66227; GTPL977; SCHEMBL6844226; BDBM50069041; CP293019; CP 293019; 7-(4-Fluoro-phenoxymethyl)-2-(5-fluoro-pyrimidin-2-yl)-octahydro-pyrido[1,2-a]pyrazine (CP-293019); (7R,9aalpha)-2-(5-Fluoro-2-pyrimidinyl)-7alpha-(4-fluorophenoxymethyl)octahydro-6H-pyrido[1,2-a]pyrazine; (7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 360.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C19H22F2N4O
  IUPAC Name: (7R,9aS)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
  Canonical SMILES: C1C[C@H]2CN(CCN2C[C@@H]1COC3=CC=C(C=C3)F)C4=NC=C(C=N4)F
  InChI: InChI=1S/C19H22F2N4O/c20-15-2-5-18(6-3-15)26-13-14-1-4-17-12-25(8-7-24(17)11-14)19-22-9-16(21)10-23-19/h2-3,5-6,9-10,14,17H,1,4,7-8,11-13H2/t14-,17+/m1/s1
  InChIKey: QXWNESOGWFJDFR-PBHICJAKSA-N
• Cross-matching ID:
  PubChem CID: 9820261
  TTD ID: D0Z7AW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	7.49E-01	-0.02	-0.06
5-HT 1A receptor (HTR1A)	DTT	HTR1A	3.45E-01	-0.02	-0.14

References

• [1] Synthesis, SAR and pharmacology of CP-293,019: a potent, selective dopamine D4 receptor antagonist. Bioorg Med Chem Lett. 1998 Apr 7;8(7):725-30.