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Ligand

NameCHEMBL116153
Molecular formulaC25H28F2N6
IUPAC name3-[3-[4-[2-(3,5-difluorophenyl)ethyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
Molecular weight450.538
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsSCHEMBL7474326
BDBM50060439
L016155
3-[3-[4-(3,5-Difluorophenethyl)piperazino]propyl]-5-(4H-1,2,4-triazol-4-yl)-1H-indole
3-(3-{4-[2-(3,5-Difluoro-phenyl)-ethyl]-piperazin-1-yl}-propyl)-5-[1,2,4]triazol-4-yl-1H-indole
Inchi KeyBLVVWPOJELUFFG-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28F2N6/c26-21-12-19(13-22(27)14-21)5-7-32-10-8-31(9-11-32)6-1-2-20-16-28-25-4-3-23(15-24(20)25)33-17-29-30-18-33/h3-4,12-18,28H,1-2,5-11H2
PubChem CID10503731
ChEMBLCHEMBL116153
IUPHARN/A
BindingDB50060439
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
270325-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
270315-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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