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Ligand

NameCHEMBL489480
Molecular formulaC26H33N5O
IUPAC name3-[[1-[2-[4-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]acetyl]piperidin-4-yl]amino]benzonitrile
Molecular weight431.584
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50292985
SCHEMBL1704483
3-((1-[(4-([(3S)-3-Methyl-1-piperazinyl]methyl)phenyl)acetyl]-4-piperidinyl)amino)benzonitrile
Inchi KeyBVWALIIZZWACOM-FQEVSTJZSA-N
Inchi IDInChI=1S/C26H33N5O/c1-20-18-30(14-11-28-20)19-22-7-5-21(6-8-22)16-26(32)31-12-9-24(10-13-31)29-25-4-2-3-23(15-25)17-27/h2-8,15,20,24,28-29H,9-14,16,18-19H2,1H3/t20-/m0/s1
PubChem CID15984939
ChEMBLCHEMBL489480
IUPHARN/A
BindingDB50292985
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
34126Motilin receptorO43193MLNRHomo sapiens (Human)412

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