Details of the Drug

General Information of Drug (ID: DMJGTS7)

• Drug Name: 4-(piperazin-1-yl)thieno[3,2-c]pyridine
• Synonyms: 106261-27-2; 4-(piperazin-1-yl)thieno[3,2-c]pyridine; 1-{THIENO[3,2-C]PYRIDIN-4-YL}PIPERAZINE; Thieno[3,2-c]pyridine,4-(1-piperazinyl)-; Thieno[3,2-c]pyridine, 4-(1-piperazinyl)-; 4-Piperazin-1-yl-thieno[3,2-c]pyridine; CHEMBL608135; 4-Piperazin-1-ylthieno[3,2-c]pyridine; CHEMBL552833; 4-(1-piperazinyl)thieno[3,2-c]pyridine; 4-piperazine-1-yl-thieno[3,2-c]pyridine; 4-Piperazine-1-yl-thieno[2,3-c]pyridine hydrochloride; ACMC-1BO03; SCHEMBL616087; CTK4A4454; DTXSID10450113; MolPort-002-500-678; RVGRTFBJOXMFAX-UHFFFAOYSA-N

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); 219.31
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C11H13N3S
  IUPAC Name: 4-piperazin-1-ylthieno[3,2-c]pyridine
  Canonical SMILES: C1CN(CCN1)C2=NC=CC3=C2C=CS3
  InChI: InChI=1S/C11H13N3S/c1-3-13-11(9-2-8-15-10(1)9)14-6-4-12-5-7-14/h1-3,8,12H,4-7H2
  InChIKey: RVGRTFBJOXMFAX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10966027
  CAS Number: 106261-27-2
  TTD ID: D0J1VB

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	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 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

References

• [1] Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. Bioorg Med Chem Lett. 2010 Jan 1;20(1):266-71.