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Ligand

NameCHEMBL465094
Molecular formulaC30H35F2N5O
IUPAC name[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]pyridin-2-yl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
Molecular weight519.641
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50412540
SCHEMBL4753905
Inchi KeyFEISRPDXMKTQEL-OYRHEFFESA-N
Inchi IDInChI=1S/C30H35F2N5O/c1-20-17-36(18-21(2)34-20)19-23-9-8-22(15-28(23)32)27-7-4-12-33-29(27)30(38)37-13-10-25(11-14-37)35-26-6-3-5-24(31)16-26/h3-9,12,15-16,20-21,25,34-35H,10-11,13-14,17-19H2,1-2H3/t20-,21+
PubChem CID16040941
ChEMBLCHEMBL465094
IUPHARN/A
BindingDB50412540
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
76260Motilin receptorO43193MLNRHomo sapiens (Human)412

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