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Ligand

NameCHEMBL3978393
Molecular formulaC29H28ClF3N4O2
IUPAC name(2R)-N-[4-chloro-3-[1-methyl-6-(trifluoromethoxy)benzimidazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
Molecular weight557.014
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.0
SynonymsBDBM50200482
Inchi KeyBGMHGWBNXBMNQS-CEQIKUNHSA-N
Inchi IDInChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-12-8-19(39-29(31,32)33)14-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1
PubChem CID134152007
ChEMBLCHEMBL3978393
IUPHARN/A
BindingDB50200482
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
548150Smoothened homologP56726SmoMus musculus (Mouse)793

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