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Ligand

NameCHEMBL569863
Molecular formulaC21H22F3N3O
IUPAC name(1R)-N-[(1R)-1-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]ethyl]-1-phenylethanamine
Molecular weight389.422
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50299681
(R)-N-((R)-1-(5-methoxy-1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)-1-phenylethanamine
Inchi KeyDCKITMWASKRPTH-HUUCEWRRSA-N
Inchi IDInChI=1S/C21H22F3N3O/c1-14(16-7-5-4-6-8-16)25-15(2)19-13-20(28-3)27(26-19)18-11-9-17(10-12-18)21(22,23)24/h4-15,25H,1-3H3/t14-,15-/m1/s1
PubChem CID44542630
ChEMBLCHEMBL569863
IUPHARN/A
BindingDB50299681
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
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GLASS IDNameUniProtGeneSpeciesLength
56450Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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