Details of the Drug

General Information of Drug (ID: DM14PLC)

• Drug Name: ST-1025
• Synonyms: ST-1025; CHEMBL1257584; BDBM50327232

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 378.5
  Logarithm of the Partition Coefficient (xlogp); 5.8
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H26N2OS
  IUPAC Name: 4,5-diphenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole
  Canonical SMILES: C1CCN(CC1)CCCOC2=NC(=C(S2)C3=CC=CC=C3)C4=CC=CC=C4
  InChI: InChI=1S/C23H26N2OS/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
  InChIKey: QRGQBMVHLMCOKC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46898078
  TTD ID: D04MKB

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.