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Ligand

NameCHEMBL564022
Molecular formulaC29H29ClFN3O3
IUPAC name2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-4-ylidene]-N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]acetamide
Molecular weight522.017
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.0
Synonyms2-[1-(4-Chloro-2-hydroxybenzoyl)piperidin-4-ylidene]-N-{(3R)-1-[(6-fluoro-2-naphthyl)methyl]pyrrolidin-3-yl}acetamide
BDBM50297173
Inchi KeyADGYFBWBQIOUQC-RUZDIDTESA-N
Inchi IDInChI=1S/C29H29ClFN3O3/c30-23-4-6-26(27(35)16-23)29(37)34-11-7-19(8-12-34)14-28(36)32-25-9-10-33(18-25)17-20-1-2-22-15-24(31)5-3-21(22)13-20/h1-6,13-16,25,35H,7-12,17-18H2,(H,32,36)/t25-/m1/s1
PubChem CID45269320
ChEMBLCHEMBL564022
IUPHARN/A
BindingDB50297173
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
2307C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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