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Ligand

NameCHEMBL221009
Molecular formulaC21H19N5O4
IUPAC nameN-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
Molecular weight405.414
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP0.7
Synonyms(R)-N-(3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-yl)-2-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
BDBM50195960
N-[(4R)-3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-inden]-5''-yl]-2-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide
Inchi KeyCGVMXRNLZJBUJV-OAQYLSRUSA-N
Inchi IDInChI=1S/C21H19N5O4/c1-25-19(29)24-18(28)21(25)9-12-6-7-14(8-13(12)10-21)22-17(27)11-26-16-5-3-2-4-15(16)23-20(26)30/h2-8H,9-11H2,1H3,(H,22,27)(H,23,30)(H,24,28,29)/t21-/m1/s1
PubChem CID44420228
ChEMBLCHEMBL221009
IUPHARN/A
BindingDB50195960
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
41645Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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