Details of the Drug

General Information of Drug (ID: DM4TX7J)

• Drug Name: Talipexole
• Synonyms: Talipexole; 101626-70-4; Talipexole [INN]; Talipexolum [Latin]; Talipexol [Spanish]; UNII-7AM2J46Z1Y; Domin; 7AM2J46Z1Y; CHEMBL279085; Talipexole (INN); NCGC00163160-01; DSSTox_CID_26321; DSSTox_RID_81537; DSSTox_GSID_46321; Talipexolum; Talipexol; 6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepine; 6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine; 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine; 4H-Thiazolo[4,5-d]azepin-2-amine,5,6,7,8-tetrahydro-6-(2-propen-1-yl)-; BHT920
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 209.31
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H15N3S
  IUPAC Name: 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
  Canonical SMILES: C=CCN1CCC2=C(CC1)SC(=N2)N
  InChI: InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
  InChIKey: DHSSDEDRBUKTQY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5374
  ChEBI ID: CHEBI:93327
  CAS Number: 101626-70-4
  TTD ID: D0Y7XC
  VARIDT ID: DR00710

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Agonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dopamine D2 receptor (D2R)	DTT	DRD2	9.39E-01	-0.01	-0.05
Dopamine D2 receptor (D2R)	DTT	DRD2	9.91E-01	-0.02	-0.28

References

• [1] Effects of talipexole on emesis-related changes in abdominal afferent vagal activity and ileal serotonin metabolism in rats. Res Commun Mol Pathol Pharmacol. 1997 Jan;95(1):67-82.