Details of the Drug

General Information of Drug (ID: DMWFU3T)

• Drug Name: 1-(3-Fluoro-pyridin-2-yl)-4-methyl-piperazine
• Synonyms: 85386-90-9; 1-(3-fluoropyridin-2-yl)-4-methylpiperazine; CHEMBL280514; 1-Methyl-4-(3-fluoro-2-pyridinyl)piperazine; 1-(3-Fluoro-pyridin-2-yl)-4-methyl-piperazine; Piperazine, 1-(3-Fluoro-2-pyridinyl)-4-methyl- (9ci); SCHEMBL10964078; KZNJAAWCEFRAPW-UHFFFAOYSA-N; ZINC36237989; BDBM50026633; AKOS025286419; AM87258

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); 195.24
  Logarithm of the Partition Coefficient (xlogp); 1.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H14FN3
  IUPAC Name: 1-(3-fluoropyridin-2-yl)-4-methylpiperazine
  Canonical SMILES: CN1CCN(CC1)C2=C(C=CC=N2)F
  InChI: InChI=1S/C10H14FN3/c1-13-5-7-14(8-6-13)10-9(11)3-2-4-12-10/h2-4H,5-8H2,1H3
  InChIKey: KZNJAAWCEFRAPW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 13298530
  TTD ID: D0MH0S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2A (ADRA2A)	TTWG9A4	ADA2A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-2B (ADRA2B)	TTWM4TY	ADA2B_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
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

References

• [1] Adrenoceptor and tetrabenazine antagonism activities of some pyridinyltetrahydropyridines. J Med Chem. 1984 Sep;27(9):1182-5.