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Ligand

NameCHEMBL518261
Molecular formulaC29H40FN5O
IUPAC name[1-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]pyrrolidin-2-yl]-[4-(3-fluoroanilino)piperidin-1-yl]methanone
Molecular weight493.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50412530
Inchi KeyHAVGWTMIBHZYEA-UXCHGGSFSA-N
Inchi IDInChI=1S/C29H40FN5O/c1-21-18-33(19-22(2)31-21)20-23-8-10-27(11-9-23)35-14-4-7-28(35)29(36)34-15-12-25(13-16-34)32-26-6-3-5-24(30)17-26/h3,5-6,8-11,17,21-22,25,28,31-32H,4,7,12-16,18-20H2,1-2H3/t21-,22+,28?
PubChem CID44570608
ChEMBLCHEMBL518261
IUPHARN/A
BindingDB50412530
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
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GLASS IDNameUniProtGeneSpeciesLength
110187Motilin receptorO43193MLNRHomo sapiens (Human)412

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