Details of the Drug

General Information of Drug (ID: DMZK4AH)

Drug Name

5-(3-benzylpyrrolidin-3-yl)-1h-indole (structural mix)

Synonyms

CHEMBL487355; 5-(3-BENZYLPYRROLIDIN-3-YL)-1H-INDOLE (STRUCTURAL MIX); SCHEMBL982204; UZKWACFLBGIUSH-UHFFFAOYSA-N; BDBM50275438; 5-(3-benzylpyrrolidin-3-yl)-1H-indole; 5-(3-benzyl-pyrrolidin-3-yl)-1H-indole; (-)-5-(3-benzylpyrrolidin-3-yl)-1H-indole

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)

276.4

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H20N2
IUPAC Name: 5-(3-benzylpyrrolidin-3-yl)-1H-indole
Canonical SMILES: C1CNCC1(CC2=CC=CC=C2)C3=CC4=C(C=C3)NC=C4
InChI: InChI=1S/C19H20N2/c1-2-4-15(5-3-1)13-19(9-11-20-14-19)17-6-7-18-16(12-17)8-10-21-18/h1-8,10,12,20-21H,9,11,13-14H2
InChIKey: UZKWACFLBGIUSH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44230732
TTD ID: D0ZC3Q

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)

MIA Detail

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.