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Ligand

NameCHEMBL489297
Molecular formulaC27H37FN4O
IUPAC name2-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]-1-[4-(4-fluoroanilino)piperidin-1-yl]propan-1-one
Molecular weight452.618
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50292983
SCHEMBL1704135
1-[2-(4-([(3R,5S)-3,5-Dimethyl-1-piperazinyl]methyl)phenyl)propanoyl]-N-(4-fluorophenyl)-4-piperidinamine
Inchi KeyDSMHXHKJIOOKIY-WCRBZPEASA-N
Inchi IDInChI=1S/C27H37FN4O/c1-19-16-31(17-20(2)29-19)18-22-4-6-23(7-5-22)21(3)27(33)32-14-12-26(13-15-32)30-25-10-8-24(28)9-11-25/h4-11,19-21,26,29-30H,12-18H2,1-3H3/t19-,20+,21?
PubChem CID15984242
ChEMBLCHEMBL489297
IUPHARN/A
BindingDB50292983
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
67756Motilin receptorO43193MLNRHomo sapiens (Human)412

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