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Ligand

NameCHEMBL2057753
Molecular formulaC31H36FN5O2
IUPAC name4-(4-aminobenzoyl)-N-[(1R,5R)-8-[(6-fluoronaphthalen-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-1,4-diazepane-1-carboxamide
Molecular weight529.66
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50387651
SCHEMBL18841107
Inchi KeyBCOXRTSTZIXWPV-FQLXRVMXSA-N
Inchi IDInChI=1S/C31H36FN5O2/c32-25-7-4-23-16-21(2-3-24(23)17-25)20-37-28-10-11-29(37)19-27(18-28)34-31(39)36-13-1-12-35(14-15-36)30(38)22-5-8-26(33)9-6-22/h2-9,16-17,27-29H,1,10-15,18-20,33H2,(H,34,39)/t28-,29-/m1/s1
PubChem CID70686357
ChEMBLCHEMBL2057753
IUPHARN/A
BindingDB50387651
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20373C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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