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Ligand

NameCHEMBL3719253
Molecular formulaC29H27N5O5S2
IUPAC name4-[5-ethyl-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]-N,N-dimethylbenzamide
Molecular weight589.685
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP5.7
SynonymsBDBM176011
SCHEMBL15348923
US9688695, 44
Inchi KeyBKKXFHYCELTMFP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H27N5O5S2/c1-6-25-21(30-26(40-25)16-7-9-17(10-8-16)27(35)33(2)3)15-38-22-11-18(36-4)12-23-19(22)13-24(39-23)20-14-34-28(31-20)41-29(32-34)37-5/h7-14H,6,15H2,1-5H3
PubChem CID89872925
ChEMBLCHEMBL3719253
IUPHARN/A
BindingDB176011
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522352Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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