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Ligand

NameCHEMBL3718490
Molecular formulaC29H31N5O6S2
IUPAC name[4-hydroxy-4-[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]cyclohexyl]-pyrrolidin-1-ylmethanone
Molecular weight609.716
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP3.9
SynonymsCANZBHVBEWKJFW-UHFFFAOYSA-N
SCHEMBL15349236
US9688695, 151
BDBM176118
(4-Hydroxy-4-(4-(((6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzofuran-4-yl)oxy)methyl)thiazol-2-yl)cyclohexyl)(pyrrolidin-1-yl)methanone
Inchi KeyCANZBHVBEWKJFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N5O6S2/c1-37-19-11-22(20-13-24(40-23(20)12-19)21-14-34-27(31-21)42-28(32-34)38-2)39-15-18-16-41-26(30-18)29(36)7-5-17(6-8-29)25(35)33-9-3-4-10-33/h11-14,16-17,36H,3-10,15H2,1-2H3
PubChem CID72193013
ChEMBLCHEMBL3718490
IUPHARN/A
BindingDB176118
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
522642Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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