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Ligand

NameCHEMBL2071539
Molecular formulaC20H22N4O4S
IUPAC name1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(3,4-dimethylphenyl)urea
Molecular weight414.48
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.0
SynonymsBDBM50390018
Inchi KeyADSIMBINEFSANR-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H22N4O4S/c1-12-5-6-17(11-13(12)2)22-20(25)21-16-7-9-18(10-8-16)29(26,27)24-19-14(3)15(4)23-28-19/h5-11,24H,1-4H3,(H2,21,22,25)
PubChem CID66554279
ChEMBLCHEMBL2071539
IUPHARN/A
BindingDB50390018
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
3031P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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