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Ligand

NameCHEMBL3716623
Molecular formulaC23H22N4O6S2
IUPAC name4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]oxan-4-ol
Molecular weight514.571
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.1
SynonymsUS9688695, 118
BDBM176085
CXAXQTROOVVLBS-UHFFFAOYSA-N
SCHEMBL15348935
4-(4-(((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)tetrahydro-2H-pyran-4-ol
Inchi KeyCXAXQTROOVVLBS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N4O6S2/c1-29-14-7-17(32-11-13-12-34-20(24-13)23(28)3-5-31-6-4-23)15-9-19(33-18(15)8-14)16-10-27-21(25-16)35-22(26-27)30-2/h7-10,12,28H,3-6,11H2,1-2H3
PubChem CID72191815
ChEMBLCHEMBL3716623
IUPHARN/A
BindingDB176085
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
523068Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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