Details of the Drug

General Information of Drug (ID: DMOQ4ER)

Drug Name
3-(1-Phenethyl-piperidin-3-yl)-2-phenyl-1H-indole
Synonyms CHEMBL44310; 3-(1-Phenethyl-piperidin-3-yl)-2-phenyl-1H-indole; SCHEMBL8525084; BDBM50099267
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) 380.5
Logarithm of the Partition Coefficient (xlogp) 6.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C27H28N2
IUPAC Name
2-phenyl-3-[1-(2-phenylethyl)piperidin-3-yl]-1H-indole
Canonical SMILES
C1CC(CN(C1)CCC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C27H28N2/c1-3-10-21(11-4-1)17-19-29-18-9-14-23(20-29)26-24-15-7-8-16-25(24)28-27(26)22-12-5-2-6-13-22/h1-8,10-13,15-16,23,28H,9,14,17-20H2
InChIKey
HQXCPXHVSRWLFR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9821248
ChEBI ID
CHEMBL44310
TTD ID
D01PYU
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.