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Ligand

NameCHEMBL88196
Molecular formulaC24H28N2O2S
IUPAC name(R)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxy-2-thiophen-3-ylquinolin-4-yl)methanol
Molecular weight408.56
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50290557
(R)-(5-Ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-(6-methoxy-2-thiophen-3-yl-quinolin-4-yl)-methanol
Inchi KeyCCUUAAWNWMSJJT-SIDSPFLZSA-N
Inchi IDInChI=1S/C24H28N2O2S/c1-3-15-13-26-8-6-16(15)10-23(26)24(27)20-12-22(17-7-9-29-14-17)25-21-5-4-18(28-2)11-19(20)21/h4-5,7,9,11-12,14-16,23-24,27H,3,6,8,10,13H2,1-2H3/t15?,16?,23?,24-/m1/s1
PubChem CID44323339
ChEMBLCHEMBL88196
IUPHARN/A
BindingDB50290557
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
38978Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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