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Ligand

NameCHEMBL402442
Molecular formulaC29H33BrFN3O2
IUPAC name(E)-3-(3-bromo-4-fluorophenyl)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
Molecular weight554.504
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50377040
Inchi KeyADCWDMMOFNYAJK-SOFGYWHQSA-N
Inchi IDInChI=1S/C29H33BrFN3O2/c30-25-17-20(5-7-26(25)31)6-8-29(36)34-15-11-22(12-16-34)28(19-35)33-13-9-21(10-14-33)24-18-32-27-4-2-1-3-23(24)27/h1-8,17-18,21-22,28,32,35H,9-16,19H2/b8-6+
PubChem CID44449054
ChEMBLCHEMBL402442
IUPHARN/A
BindingDB50377040
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2139C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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