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Ligand

NameCHEMBL474934
Molecular formulaC26H35FN4O
IUPAC name2-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]ethanone
Molecular weight438.591
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50292980
SCHEMBL1704865
1-[(4-([(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl)phenyl)acetyl]-N-(4-fluorophenyl)-4-piperidinamine
Inchi KeyHXXABQAEGBRHAX-BGYRXZFFSA-N
Inchi IDInChI=1S/C26H35FN4O/c1-19-16-30(17-20(2)28-19)18-22-5-3-21(4-6-22)15-26(32)31-13-11-25(12-14-31)29-24-9-7-23(27)8-10-24/h3-10,19-20,25,28-29H,11-18H2,1-2H3/t19-,20+
PubChem CID15604512
ChEMBLCHEMBL474934
IUPHARN/A
BindingDB50292980
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
126786Motilin receptorO43193MLNRHomo sapiens (Human)412

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