Details of the Drug

General Information of Drug (ID: DMR35OM)

Drug Name

5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole

Synonyms

CHEMBL513258; 5-(3-(4-fluorobenzyl)pyrrolidin-3-yl)-1H-indole; SCHEMBL982062

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)

294.4

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H19FN2
IUPAC Name: 5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole
Canonical SMILES: C1CNCC1(CC2=CC=C(C=C2)F)C3=CC4=C(C=C3)NC=C4
InChI: InChI=1S/C19H19FN2/c20-17-4-1-14(2-5-17)12-19(8-10-21-13-19)16-3-6-18-15(11-16)7-9-22-18/h1-7,9,11,21-22H,8,10,12-13H2
InChIKey: RBNFIIOAQFISLC-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.