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Ligand

NameCHEMBL34335
Molecular formulaC24H29N3O4
IUPAC nametert-butyl 2-[3-[(3-methylphenyl)carbamoylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
Molecular weight423.513
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50281723
L007180
[2-Oxo-3-(3-m-tolyl-ureido)-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl]-acetic acid tert-butyl ester
Inchi KeyBEXFBMPJEUUUPA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O4/c1-16-8-7-10-18(14-16)25-23(30)26-19-13-12-17-9-5-6-11-20(17)27(22(19)29)15-21(28)31-24(2,3)4/h5-11,14,19H,12-13,15H2,1-4H3,(H2,25,26,30)
PubChem CID44210424
ChEMBLCHEMBL34335
IUPHARN/A
BindingDB50281723
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
22011Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
22012Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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