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Ligand

NameCHEMBL364246
Molecular formulaC28H31N5O4S
IUPAC name1-tert-butyl-3-[2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-1-(2-phenylethyl)benzimidazol-5-yl]urea
Molecular weight533.647
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50165527
1-tert-Butyl-3-[2-(2-methoxy-5-nitro-benzylsulfanyl)-1-phenethyl-1H-benzoimidazol-5-yl]-urea
Inchi KeyBGUUISPXZIOHRA-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N5O4S/c1-28(2,3)31-26(34)29-21-10-12-24-23(17-21)30-27(32(24)15-14-19-8-6-5-7-9-19)38-18-20-16-22(33(35)36)11-13-25(20)37-4/h5-13,16-17H,14-15,18H2,1-4H3,(H2,29,31,34)
PubChem CID44402105
ChEMBLCHEMBL364246
IUPHARN/A
BindingDB50165527
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23442Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327
23443Gonadotropin-releasing hormone receptorP30968GNRHRHomo sapiens (Human)328

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