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Ligand

NameCHEMBL482178
Molecular formulaC25H21N7O4
IUPAC nameN-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(2-oxo-3-pyrimidin-4-ylbenzimidazol-1-yl)acetamide
Molecular weight483.488
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP1.1
SynonymsBDBM50254978
(R)-N-(3-methyl-2,5-dioxo-1'',3''-dihydrospiro[imidazolidine-4,2''-indene]-5''-yl)-2-(2-oxo-3-(pyrimidin-4-yl)-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetamide
Inchi KeyBBWASBWDVJQKBD-RUZDIDTESA-N
Inchi IDInChI=1S/C25H21N7O4/c1-30-23(35)29-22(34)25(30)11-15-6-7-17(10-16(15)12-25)28-21(33)13-31-18-4-2-3-5-19(18)32(24(31)36)20-8-9-26-14-27-20/h2-10,14H,11-13H2,1H3,(H,28,33)(H,29,34,35)/t25-/m1/s1
PubChem CID44570498
ChEMBLCHEMBL482178
IUPHARN/A
BindingDB50254978
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
19885Calcitonin gene-related peptide type 1 receptorQ16602CALCRLHomo sapiens (Human)461

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