Details of the Drug

General Information of Drug (ID: DM1HM3F)

• Drug Name: 4-(piperazin-1-yl)-3-tosyl-1H-indazole
• Synonyms: CHEMBL1277834; 4-(piperazin-1-yl)-3-tosyl-1H-indazole

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); 356.4
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H20N4O2S
  IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-piperazin-1-yl-2H-indazole
  Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=NN2)C=CC=C3N4CCNCC4
  InChI: InChI=1S/C18H20N4O2S/c1-13-5-7-14(8-6-13)25(23,24)18-17-15(20-21-18)3-2-4-16(17)22-11-9-19-10-12-22/h2-8,19H,9-12H2,1H3,(H,20,21)
  InChIKey: SJAUEJQIVFASOP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49836506
  TTD ID: D0VI0S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 6 receptor (HTR6)	TTJS8PY	5HT6R_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 6 receptor (HTR6)	DTT	HTR6	1.23E-05	-0.12	-0.71

References

• [1] 5-Piperazinyl-3-sulfonylindazoles as potent and selective 5-hydroxytryptamine-6 antagonists. J Med Chem. 2010 Nov 11;53(21):7639-46.