Details of the Drug

General Information of Drug (ID: DMGDN93)

Drug Name
3-(1-Benzyl-piperidin-3-yl)-2-phenyl-1H-indole
Synonyms CHEMBL46523; 3-(1-Benzyl-piperidin-3-yl)-2-phenyl-1H-indole; SCHEMBL8524973; BDBM50099274
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): 1 Molecular Weight (mw) 366.5
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C26H26N2
IUPAC Name
3-(1-benzylpiperidin-3-yl)-2-phenyl-1H-indole
Canonical SMILES
C1CC(CN(C1)CC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2/c1-3-10-20(11-4-1)18-28-17-9-14-22(19-28)25-23-15-7-8-16-24(23)27-26(25)21-12-5-2-6-13-21/h1-8,10-13,15-16,22,27H,9,14,17-19H2
InChIKey
RXGPCIHYSMKIRI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9842124
ChEBI ID
CHEMBL46523
TTD ID
D0FL1D
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated potassium channel Kv11.1 (KCNH2) TTQ6VDM KCNH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 3-(4-Fluoropiperidin-3-yl)-2-phenylindoles as high affinity, selective, and orally bioavailable h5-HT(2A) receptor antagonists. J Med Chem. 2001 May 10;44(10):1603-14.