Details of the Drug

General Information of Drug (ID: DMDHFU9)

• Drug Name: 2-(4-Methyl-piperazin-1-yl)-4-phenyl-pyrimidine
• Synonyms: CHEMBL45158; 159692-85-0; 2-(4-methylpiperazin-1-yl)-4-phenylpyrimidine; 2-(4-Methyl-piperazin-1-yl)-4-phenyl-pyrimidine; SCHEMBL1275203; CTK0B0099; DTXSID80438281; QHOBPFOGFURKFZ-UHFFFAOYSA-N; BDBM50289600; 1-(4-Phenylpyrimidin-2-yl)-4-methylpiperazine; Pyrimidine, 2-(4-methyl-1-piperazinyl)-4-phenyl-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 254.33
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H18N4
  IUPAC Name: 2-(4-methylpiperazin-1-yl)-4-phenylpyrimidine
  Canonical SMILES: CN1CCN(CC1)C2=NC=CC(=N2)C3=CC=CC=C3
  InChI: InChI=1S/C15H18N4/c1-18-9-11-19(12-10-18)15-16-8-7-14(17-15)13-5-3-2-4-6-13/h2-8H,9-12H2,1H3
  InChIKey: QHOBPFOGFURKFZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10332554
  CAS Number: 159692-85-0
  TTD ID: D01YBD

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]
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

References

• [1] 4-(3-furyl)-2-(4-methylpiperazino)pyrimidines: Potent 5-HT2A receptor antagonists, Bioorg. Med. Chem. Lett. 7(13):1635-1638 (1997).