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Ligand

NameCHEMBL558259
Molecular formulaC27H38N4O2
IUPAC name2-oxo-N-[(1R,5R)-8-(2-piperidin-1-ylethyl)-8-azabicyclo[3.2.1]octan-3-yl]-1-propan-2-ylquinoline-3-carboxamide
Molecular weight450.627
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50414706
Inchi KeyBJSRZLQQZKFWNU-DHIUTWEWSA-N
Inchi IDInChI=1S/C27H38N4O2/c1-19(2)31-25-9-5-4-8-20(25)16-24(27(31)33)26(32)28-21-17-22-10-11-23(18-21)30(22)15-14-29-12-6-3-7-13-29/h4-5,8-9,16,19,21-23H,3,6-7,10-15,17-18H2,1-2H3,(H,28,32)/t22-,23-/m1/s1
PubChem CID91900491
ChEMBLN/A
IUPHARN/A
BindingDB50414706
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
5580545-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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