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Ligand

NameCHEMBL3909304
Molecular formulaC28H29F3N2O2
IUPAC name(2R)-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]-N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
Molecular weight482.547
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP7.2
SynonymsBDBM50200477
Inchi KeyHKUGMAKDLSHOLT-XKPFWTEKSA-N
Inchi IDInChI=1S/C28H29F3N2O2/c1-16-8-14-24(26-22(16)15-9-17(2)32-26)19(4)27(34)33-25-7-5-6-23(18(25)3)20-10-12-21(13-11-20)35-28(29,30)31/h5-7,9-13,15-16,19,24H,8,14H2,1-4H3,(H,33,34)/t16-,19-,24+/m1/s1
PubChem CID134133070
ChEMBLCHEMBL3909304
IUPHARN/A
BindingDB50200477
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
549302Smoothened homologP56726SmoMus musculus (Mouse)793

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