Details of the Drug

General Information of Drug (ID: DMKZJWV)

• Drug Name: ST-1093
• Synonyms: ST-1093; CHEMBL1257934; BDBM50327233

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); 406.6
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C22H38N4OS
  IUPAC Name: 2-(3-piperidin-1-ylpropoxy)-5-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
  Canonical SMILES: C1CCN(CC1)CCCN2CCC3=C(C2)SC(=N3)OCCCN4CCCCC4
  InChI: InChI=1S/C22H38N4OS/c1-3-10-24(11-4-1)14-7-15-26-17-9-20-21(19-26)28-22(23-20)27-18-8-16-25-12-5-2-6-13-25/h1-19H2
  InChIKey: SYMZYURRALQTPH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 52940790
  TTD ID: D0N6CB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H3 receptor (H3R)	TT9JNIC	HRH3_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
Histamine H3 receptor (H3R)	DTT	HRH3	3.62E-02	-0.09	-0.22

References

• [1] Azole derivatives as histamine H3 receptor antagonists, part 2: C-C and C-S coupled heterocycles. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5883-6.