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Ligand

NameCHEMBL606976
Molecular formulaC21H23F2N5O2
IUPAC name5-[3-[4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
Molecular weight415.445
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50305511
SCHEMBL4128641
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
Inchi KeyCGNRUWDZGYKKEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H23F2N5O2/c1-13-18(23)10-15(22)11-19(13)30-17-6-8-27(9-7-17)21-26-25-14(2)28(21)16-4-5-20(29-3)24-12-16/h4-5,10-12,17H,6-9H2,1-3H3
PubChem CID46225048
ChEMBLCHEMBL606976
IUPHARN/A
BindingDB50305511
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
41471Oxytocin receptorP30559OXTRHomo sapiens (Human)389
41469Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
41470Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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