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Ligand

NameCHEMBL2013233
Molecular formulaC26H30F2N2O3
IUPAC nameN-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight456.534
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50380115
Inchi KeyCFKZMRVRBCKIHV-NBVRZTHBSA-N
Inchi IDInChI=1S/C26H30F2N2O3/c1-18(14-19-5-7-21(27)16-23(19)28)17-30(11-9-22-4-3-10-29(22)2)26(31)20-6-8-24-25(15-20)33-13-12-32-24/h5-8,14-16,22H,3-4,9-13,17H2,1-2H3/b18-14+
PubChem CID59052427
ChEMBLCHEMBL2013233
IUPHARN/A
BindingDB50380115
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
40727Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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