Details of the Drug

General Information of Drug (ID: DMPKGJC)

Drug Name

5-(3-butylpyrrolidin-3-yl)-1H-indole

Synonyms

CHEMBL463585; 5-(3-butylpyrrolidin-3-yl)-1H-indole; SCHEMBL983150

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)

242.36

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H22N2
IUPAC Name: 5-(3-butylpyrrolidin-3-yl)-1H-indole
Canonical SMILES: CCCCC1(CCNC1)C2=CC3=C(C=C2)NC=C3
InChI: InChI=1S/C16H22N2/c1-2-3-7-16(8-10-17-12-16)14-4-5-15-13(11-14)6-9-18-15/h4-6,9,11,17-18H,2-3,7-8,10,12H2,1H3
InChIKey: FIIZGBLPZZYXCS-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.