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Ligand

NameCHEMBL489094
Molecular formulaC25H33FN4O
IUPAC name1-[4-(4-fluoroanilino)piperidin-1-yl]-2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]ethanone
Molecular weight424.564
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.3
SynonymsBDBM50292981
N-(4-Fluorophenyl)-1-[(4-([(3S)-3-methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinamine
SCHEMBL1704458
Inchi KeyABKBSWVRNXDREE-IBGZPJMESA-N
Inchi IDInChI=1S/C25H33FN4O/c1-19-17-29(15-12-27-19)18-21-4-2-20(3-5-21)16-25(31)30-13-10-24(11-14-30)28-23-8-6-22(26)7-9-23/h2-9,19,24,27-28H,10-18H2,1H3/t19-/m0/s1
PubChem CID15984938
ChEMBLCHEMBL489094
IUPHARN/A
BindingDB50292981
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
917Motilin receptorO43193MLNRHomo sapiens (Human)412

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