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]
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
PubChem CID
25224941
ChEBI ID
CHEMBL463585
TTD ID
D0S1XC
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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.