Details of the Drug

General Information of Drug (ID: DMEV6Q2)

Drug Name
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
Synonyms CHEMBL487763; 3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine; SCHEMBL2074218; HYXMIUGYZHSSJS-UHFFFAOYSA-N; BDBM50275378
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) 264.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C18H20N2
IUPAC Name
3-(1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
Canonical SMILES
CNCCC(C1=CC=CC=C1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H20N2/c1-19-12-11-15(14-7-3-2-4-8-14)17-13-20-18-10-6-5-9-16(17)18/h2-10,13,15,19-20H,11-12H2,1H3
InChIKey
HYXMIUGYZHSSJS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44589528
ChEBI ID
CHEMBL487763
TTD ID
D0BW0V
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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 Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6062-6.