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Ligand

NameCHEMBL9195
Molecular formulaC26H26N4O6
IUPAC name3-[[2-(3-methoxy-N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]benzoic acid
Molecular weight490.516
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.6
SynonymsSCHEMBL9134932
BDBM50063646
L005930
3-[3-({(3-Methoxy-phenyl)-[(methyl-phenyl-carbamoyl)-methyl]-carbamoyl}-methyl)-ureido]-benzoic acid
Inchi KeyFMSBMHIVXPONQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N4O6/c1-29(20-10-4-3-5-11-20)24(32)17-30(21-12-7-13-22(15-21)36-2)23(31)16-27-26(35)28-19-9-6-8-18(14-19)25(33)34/h3-15H,16-17H2,1-2H3,(H,33,34)(H2,27,28,35)
PubChem CID15670985
ChEMBLCHEMBL9195
IUPHARN/A
BindingDB50063646
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
82224Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
82223Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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