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]
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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

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]

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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.