Details of the Drug

General Information of Drug (ID: DM2ZUFO)

Drug Name
5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole
Synonyms CHEMBL459176; 5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole; SCHEMBL981431
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) 290.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H22N2
IUPAC Name
5-(3-benzylpyrrolidin-3-yl)-1-methylindole
Canonical SMILES
CN1C=CC2=C1C=CC(=C2)C3(CCNC3)CC4=CC=CC=C4
InChI
InChI=1S/C20H22N2/c1-22-12-9-17-13-18(7-8-19(17)22)20(10-11-21-15-20)14-16-5-3-2-4-6-16/h2-9,12-13,21H,10-11,14-15H2,1H3
InChIKey
OSXVIZKTSFAUPG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44230733
ChEBI ID
CHEMBL459176
TTD ID
D0I2UC
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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.