Details of the Drug

General Information of Drug (ID: DM2KAG5)

• Drug Name: 4-(piperazin-1-yl)thieno[3,2-d]pyrimidine
• Synonyms: 683274-67-1; 4-(piperazin-1-yl)thieno[3,2-d]pyrimidine; 4-Piperazinothieno[3,2-d]pyrimidine; CHEMBL594477; 1-{thieno[3,2-d]pyrimidin-4-yl}piperazine; 1-(thieno[3,2-d]pyrimidin-4-yl)piperazine; AC1MC2NN; SCHEMBL1601613; CTK7D1709; GVNSLBIXJYZCCB-UHFFFAOYSA-N; MolPort-000-158-321; ZINC2513539; SBB095997; KM1197; BDBM50304815; 8099AE; AKOS009377421; FS-1502; MCULE-3522335295; KS-0000257Q; 4-piperazinylthiopheno[3,2-d]pyrimidine; 4-piperazin-1-ylthieno[3,2-d]pyrimidine; KB-86789; KB-193828; 4-piperazin-1-yl-thieno[3,2-d]pyrimidine

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); 220.3
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C10H12N4S
  IUPAC Name: 4-piperazin-1-ylthieno[3,2-d]pyrimidine
  Canonical SMILES: C1CN(CCN1)C2=NC=NC3=C2SC=C3
  InChI: InChI=1S/C10H12N4S/c1-6-15-9-8(1)12-7-13-10(9)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
  InChIKey: GVNSLBIXJYZCCB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2760428
  TTD ID: D00DHV

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.