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]
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
ChEBI ID
CHEMBL487355
TTD ID
D0ZC3Q
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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.