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Ligand

NameSCHEMBL9999166
Molecular formulaC26H31F3N6O2S
IUPAC nameN-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[2-propan-2-yl-6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight548.629
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP4.1
SynonymsCHEMBL3906803
BDBM163459
SCHEMBL12052971
SCHEMBL9999167
SCHEMBL15214621
[ Show all ]
Inchi KeyFRIUIPFFUUXNHO-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31F3N6O2S/c1-15(2)23-33-20-4-3-16(26(27,28)29)9-19(20)24(34-23)31-11-22(36)32-17-12-35(13-17)18-5-7-25(37,8-6-18)21-10-30-14-38-21/h3-4,9-10,14-15,17-18,37H,5-8,11-13H2,1-2H3,(H,32,36)(H,31,33,34)
PubChem CID54768837
ChEMBLCHEMBL3906803
IUPHARN/A
BindingDBN/A
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
538106C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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