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Ligand

NameCHEMBL161093
Molecular formulaC33H40N2O
IUPAC name(2S,3aS,4S,5S)-2,4-diphenyl-5-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
Molecular weight480.696
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP7.6
Synonyms(2S,3aS,4S,5S)-2,4-Diphenyl-5-[4-(3-phenyl-propyl)-piperidin-1-ylmethyl]-hexahydro-pyrrolo[1,2-b]isoxazole
(2S,3aalpha)-2alpha,4alpha-Diphenyl-5beta-[4-(3-phenylpropyl)piperidinomethyl]hexahydropyrrolo[1,2-b]isoxazole
BDBM50110099
Inchi KeyATQZSLPBLOHQLC-ZWDYZTTJSA-N
Inchi IDInChI=1S/C33H40N2O/c1-4-11-26(12-5-1)13-10-14-27-19-21-34(22-20-27)24-30-25-35-31(33(30)29-17-8-3-9-18-29)23-32(36-35)28-15-6-2-7-16-28/h1-9,11-12,15-18,27,30-33H,10,13-14,19-25H2/t30-,31-,32-,33+/m0/s1
PubChem CID44373852
ChEMBLCHEMBL161093
IUPHARN/A
BindingDB50110099
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14266C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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