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Ligand

NameCHEMBL3719385
Molecular formulaC25H25N5O4S
IUPAC name4-[[6-methoxy-2-(6-methylimidazo[1,2-b]pyridazin-2-yl)-1-benzofuran-4-yl]oxymethyl]-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
Molecular weight491.566
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.1
SynonymsUS9688695, 256
BDBM176223
SCHEMBL16603332
Inchi KeyCKPKXLBOVYLIRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H25N5O4S/c1-15-5-6-24-28-20(12-30(24)29-15)23-10-19-21(8-18(31-2)9-22(19)34-23)33-13-16-14-35-25(27-16)26-11-17-4-3-7-32-17/h5-6,8-10,12,14,17H,3-4,7,11,13H2,1-2H3,(H,26,27)
PubChem CID117981541
ChEMBLCHEMBL3719385
IUPHARN/A
BindingDB176223
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
522821Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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