Details of the Drug

General Information of Drug (ID: DMNU2RM)

• Drug Name: 4-(piperazin-1-yl)thieno[2,3-d]pyrimidine
• Synonyms: 4-(piperazin-1-yl)thieno[2,3-d]pyrimidine; 373356-48-0; 1-{thieno[2,3-d]pyrimidin-4-yl}piperazine; 4-piperazin-1-ylthieno[2,3-d]pyrimidine; CHEMBL596108; 1-(Thieno[2,3-d]pyrimidin-4-yl)piperazine; AC1Q1I4T; SCHEMBL4922800; CTK7D1707; MolPort-001-760-894; ZINC12954996; SBB095996; BDBM50304810; AKOS000123564; MCULE-6714459164; PS-3311; NE24045; KS-000029X0; 4-piperazinylthiopheno[2,3-d]pyrimidine; KB-85055; DA-06355; 4-Piperazin-1-yl-thieno[2,3-d]pyrimidine; KB-243074; FT-0727983; EN300-29445; Thieno[2,3-d]pyrimidine, 4-(1-piperaziny

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); 0.9
  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[2,3-d]pyrimidine
  Canonical SMILES: C1CN(CCN1)C2=C3C=CSC3=NC=N2
  InChI: InChI=1S/C10H12N4S/c1-6-15-10-8(1)9(12-7-13-10)14-4-2-11-3-5-14/h1,6-7,11H,2-5H2
  InChIKey: HFGUINASBGDWLY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16768198
  CAS Number: 373356-48-0
  TTD ID: D01FOM

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.