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Ligand

NameCHEMBL256944
Molecular formulaC28H27ClN4O4S
IUPAC name1-[2-[2-(2-chlorophenyl)-5-methylpyrazol-3-yl]oxyphenyl]-3-[4-(1,1-dioxothian-4-yl)phenyl]urea
Molecular weight551.058
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50373301
SCHEMBL14024306
Inchi KeyBOHWGPHRMBIEFW-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27ClN4O4S/c1-19-18-27(33(32-19)25-8-4-2-6-23(25)29)37-26-9-5-3-7-24(26)31-28(34)30-22-12-10-20(11-13-22)21-14-16-38(35,36)17-15-21/h2-13,18,21H,14-17H2,1H3,(H2,30,31,34)
PubChem CID44448945
ChEMBLCHEMBL256944
IUPHARN/A
BindingDB50373301
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
28814P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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