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Ligand

NameCHEMBL489479
Molecular formulaC28H39FN4O
IUPAC name2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
Molecular weight466.645
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50292984
SCHEMBL1704589
1-[2-(4-([(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl)phenyl)-2-methylpropanoyl]-N-(4-fluorophenyl)-4-piperidinamine
Inchi KeyHUZVCBYMIXTYBP-OYRHEFFESA-N
Inchi IDInChI=1S/C28H39FN4O/c1-20-17-32(18-21(2)30-20)19-22-5-7-23(8-6-22)28(3,4)27(34)33-15-13-26(14-16-33)31-25-11-9-24(29)10-12-25/h5-12,20-21,26,30-31H,13-19H2,1-4H3/t20-,21+
PubChem CID15984318
ChEMBLCHEMBL489479
IUPHARN/A
BindingDB50292984
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
124775Motilin receptorO43193MLNRHomo sapiens (Human)412

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