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Ligand

NameCHEMBL3716687
Molecular formulaC28H22N6O3S
IUPAC nameN-(1H-indol-5-yl)-4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-amine
Molecular weight522.583
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.3
SynonymsUS9688695, 261
BDBM176228
SCHEMBL16603336
Inchi KeyCSISELVUJFQQMR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H22N6O3S/c1-16-3-6-27-32-23(13-34(27)33-16)26-12-21-24(10-20(35-2)11-25(21)37-26)36-14-19-15-38-28(31-19)30-18-4-5-22-17(9-18)7-8-29-22/h3-13,15,29H,14H2,1-2H3,(H,30,31)
PubChem CID117981545
ChEMBLCHEMBL3716687
IUPHARN/A
BindingDB176228
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
522986Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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