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Ligand

NameCHEMBL12726
Molecular formulaC25H29F3N4
IUPAC name2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Molecular weight442.53
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50019735
2-{3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-propyl}-2,3,4,9-tetrahydro-1H-beta-carboline
Inchi KeyAGWOUMXKBMIRJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H29F3N4/c26-25(27,28)19-5-3-6-20(17-19)32-15-13-30(14-16-32)10-4-11-31-12-9-22-21-7-1-2-8-23(21)29-24(22)18-31/h1-3,5-8,17,29H,4,9-16,18H2
PubChem CID44268163
ChEMBLCHEMBL12726
IUPHARN/A
BindingDB50019735
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5300D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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