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Ligand

NameCHEMBL541223
Molecular formulaC33H41N5O2
IUPAC nameN-[(1S,5S)-8-[2-[2-(1H-indol-3-yl)ethyl-methylamino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1-propan-2-ylquinoline-3-carboxamide
Molecular weight539.724
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.1
SynonymsBDBM50414718
Inchi KeyBNYAQKKSDCNZOB-SVBPBHIXSA-N
Inchi IDInChI=1S/C33H41N5O2/c1-22(2)38-31-11-7-4-8-23(31)18-29(33(38)40)32(39)35-25-19-26-12-13-27(20-25)37(26)17-16-36(3)15-14-24-21-34-30-10-6-5-9-28(24)30/h4-11,18,21-22,25-27,34H,12-17,19-20H2,1-3H3,(H,35,39)/t26-,27-/m0/s1
PubChem CID91900497
ChEMBLN/A
IUPHARN/A
BindingDB50414718
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5581255-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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