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Ligand

NameCHEMBL562923
Molecular formulaC29H30FN3O3
IUPAC nameN-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(4-hydroxybenzoyl)piperidin-4-ylidene]acetamide
Molecular weight487.575
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsBDBM50297179
N-{(3R)-1-[(6-Fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}-2-[1-(4-hydroxybenzoyl)piperidin-4-ylidene]acetamide
Inchi KeyAHNCPMUENNAKMN-AREMUKBSSA-N
Inchi IDInChI=1S/C29H30FN3O3/c30-25-6-3-23-15-21(1-2-24(23)17-25)18-32-12-11-26(19-32)31-28(35)16-20-9-13-33(14-10-20)29(36)22-4-7-27(34)8-5-22/h1-8,15-17,26,34H,9-14,18-19H2,(H,31,35)/t26-/m1/s1
PubChem CID45273698
ChEMBLCHEMBL562923
IUPHARN/A
BindingDB50297179
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
5704C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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