General Information of Drug (ID: DMHI50W)

Drug Name
4-(Indan-1-ylsulfanyl)-phenylamine
Synonyms CHEMBL191844; 4-(Indan-1-ylsulfanyl)-phenylamine
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) 241.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H15NS
IUPAC Name
4-(2,3-dihydro-1H-inden-1-ylsulfanyl)aniline
Canonical SMILES
C1CC2=CC=CC=C2C1SC3=CC=C(C=C3)N
InChI
InChI=1S/C15H15NS/c16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,15H,5,10,16H2
InChIKey
WWGLOFVWIRHNNH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44401620
TTD ID
D01DCE

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 Binding of isotryptamines and indenes at h5-HT6 serotonin receptors. Bioorg Med Chem Lett. 2005 Apr 15;15(8):1987-91.