Details of the Drug

General Information of Drug (ID: DM6R5HU)

Drug Name
3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole
Synonyms CHEMBL91667; 3-(1-Methyl-piperidin-4-yl)-2-phenyl-1H-indole; SCHEMBL7959758; UBCVYEFSXHCFPK-UHFFFAOYSA-N; BDBM50095055; 3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole; L018753
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) 290.4
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H22N2
IUPAC Name
3-(1-methylpiperidin-4-yl)-2-phenyl-1H-indole
Canonical SMILES
CN1CCC(CC1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-22-13-11-15(12-14-22)19-17-9-5-6-10-18(17)21-20(19)16-7-3-2-4-8-16/h2-10,15,21H,11-14H2,1H3
InChIKey
UBCVYEFSXHCFPK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9838958
TTD ID
D0Q1ZC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3-(4-Piperidinyl)- and 3-(8-aza-bicyclo[3.2.1]oct-3-yl)-2-phenyl-1H-indoles as bioavailable h5-HT2A antagonists. Bioorg Med Chem Lett. 2000 Dec 18;10(24):2701-3.