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Ligand

NameCHEMBL394793
Molecular formulaC28H38FN3O2
IUPAC nameN-[3-[1-[3-[[(2S)-2-(4-fluorophenyl)propanoyl]amino]propyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide
Molecular weight467.629
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
Synonyms(2S)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl) propanamide
(2S)-2-(4-fluorophenyl)-N-(3-{4-[5-(isobutyrylamino)-2-methylphenyl]-1-piperidinyl}propyl)propanamide
AFEOXYGIEXXWKX-NRFANRHFSA-N
BDBM50219043
SCHEMBL5516005
Inchi KeyAFEOXYGIEXXWKX-NRFANRHFSA-N
Inchi IDInChI=1S/C28H38FN3O2/c1-19(2)27(33)31-25-11-6-20(3)26(18-25)23-12-16-32(17-13-23)15-5-14-30-28(34)21(4)22-7-9-24(29)10-8-22/h6-11,18-19,21,23H,5,12-17H2,1-4H3,(H,30,34)(H,31,33)/t21-/m0/s1
PubChem CID16756185
ChEMBLCHEMBL394793
IUPHARN/A
BindingDBN/A
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
4102Melanin-concentrating hormone receptor 1P97639Mchr1Rattus norvegicus (Rat)353

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