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Ligand

NameSCHEMBL10147835
Molecular formulaC26H22ClF2N7O5
IUPAC nameN-[3-[[(1R)-1-[5-[5-chloro-3-fluoro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]carbamoyl]oxetan-3-yl]-2-methoxypyrimidine-5-carboxamide
Molecular weight585.953
Hydrogen bond acceptor12
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM140542
US8912221, 15
Inchi KeyCAOFUTXBTGKTNT-GFCCVEGCSA-N
Inchi IDInChI=1S/C26H22ClF2N7O5/c1-12(33-24(38)26(10-40-11-26)35-23(37)15-8-31-25(39-3)32-9-15)21-19(29)4-14(7-30-21)17-5-16(27)6-18(28)20(17)22-34-13(2)41-36-22/h4-9,12H,10-11H2,1-3H3,(H,33,38)(H,35,37)/t12-/m1/s1
PubChem CID57382839
ChEMBLN/A
IUPHARN/A
BindingDB140542
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558415B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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