Details of the Drug

General Information of Drug (ID: DMNSIF2)

Drug Name
5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
Synonyms CHEMBL1276926; 5-(4-Methylpiperazin-1-yl)-3-tosyl-1H-indazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 370.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H22N4O2S
IUPAC Name
3-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-2H-indazole
Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C3C=C(C=CC3=NN2)N4CCN(CC4)C
InChI
InChI=1S/C19H22N4O2S/c1-14-3-6-16(7-4-14)26(24,25)19-17-13-15(5-8-18(17)20-21-19)23-11-9-22(2)10-12-23/h3-8,13H,9-12H2,1-2H3,(H,20,21)
InChIKey
DAXBNFVWZYVXTC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
49836621
TTD ID
D0F6GP

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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