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Ligand

NameCHEMBL70549
Molecular formulaC26H20FN3O2
IUPAC nameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-methylindene-1-carboxamide
Molecular weight425.463
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50019281
2-Methyl-1H-indene-1-carboxylic acid [5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-amide: 1.5 H2O
Inchi KeyBTVYHNUNRZRDGJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H20FN3O2/c1-26(15-14-16-8-2-5-11-19(16)26)25(32)30-23-24(31)28-21-13-7-4-10-18(21)22(29-23)17-9-3-6-12-20(17)27/h2-15,23H,1H3,(H,28,31)(H,30,32)
PubChem CID44311642
ChEMBLCHEMBL70549
IUPHARN/A
BindingDB50019281
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
32735Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
32734Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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