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Ligand

Name(S)-4-(6-(((2-(2-(1-fluoroethyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxybenzofuran-4-yl)oxy)methyl)pyridin-2-yl)tetrahydro-2H-pyran-4-ol
Molecular formulaC26H25FN4O5S
IUPAC name4-[6-[[2-[2-[(1S)-1-fluoroethyl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]-6-methoxy-1-benzofuran-4-yl]oxymethyl]pyridin-2-yl]oxan-4-ol
Molecular weight524.567
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP3.3
SynonymsSCHEMBL15349850
US9518064, Example 110
BDBM286491
CHEMBL3716576
(S)-4-(6-(((2-(2-(1-fluoroethyl)imidazo[2,1-b][1,3,4]thia-diazol-6-yl)-6-methoxybenzofuran-4-yl)oxy)-methyl)pyridin-2-yl)tetrahydro-2H-pyran-4-ol
[ Show all ]
Inchi KeyBFJWHYCHYOUZLZ-HNNXBMFYSA-N
Inchi IDInChI=1S/C26H25FN4O5S/c1-15(27)24-30-31-13-19(29-25(31)37-24)22-12-18-20(10-17(33-2)11-21(18)36-22)35-14-16-4-3-5-23(28-16)26(32)6-8-34-9-7-26/h3-5,10-13,15,32H,6-9,14H2,1-2H3/t15-/m0/s1
PubChem CID72192126
ChEMBLCHEMBL3716576
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522215Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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