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Ligand

NameCHEMBL313797
Molecular formulaC26H28ClFN2O2
IUPAC name(R)-[2-(3-chloro-4-fluorophenyl)-6-methoxyquinolin-4-yl]-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)methanol
Molecular weight454.97
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.5
Synonyms(R)-[2-(3-Chloro-4-fluoro-phenyl)-6-methoxy-quinolin-4-yl]-(5-ethyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol
BDBM50290553
Inchi KeyACFFUGIEILHRRY-WPAOPDMSSA-N
Inchi IDInChI=1S/C26H28ClFN2O2/c1-3-15-14-30-9-8-16(15)11-25(30)26(31)20-13-24(17-4-6-22(28)21(27)10-17)29-23-7-5-18(32-2)12-19(20)23/h4-7,10,12-13,15-16,25-26,31H,3,8-9,11,14H2,1-2H3/t15?,16?,25?,26-/m1/s1
PubChem CID44323001
ChEMBLCHEMBL313797
IUPHARN/A
BindingDB50290553
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
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GLASS IDNameUniProtGeneSpeciesLength
1500Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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