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Ligand

NameCHEMBL2013232
Molecular formulaC28H37FN2O5
IUPAC nameN-[(E)-3-(2-fluoro-4-methoxyphenyl)-2-methylprop-2-enyl]-3,4,5-trimethoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
Molecular weight500.611
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.1
SynonymsBDBM50380137
Inchi KeyBBJOIMDIAGXPEI-XMHGGMMESA-N
Inchi IDInChI=1S/C28H37FN2O5/c1-19(14-20-9-10-23(33-3)17-24(20)29)18-31(13-11-22-8-7-12-30(22)2)28(32)21-15-25(34-4)27(36-6)26(16-21)35-5/h9-10,14-17,22H,7-8,11-13,18H2,1-6H3/b19-14+
PubChem CID59052425
ChEMBLCHEMBL2013232
IUPHARN/A
BindingDB50380137
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
19550Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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