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Ligand

NameCHEMBL190578
Molecular formulaC21H29N6O5+
IUPAC name1-[5-(2-carbamoylpyrrolidin-1-yl)-5-oxo-4-[(5-oxopyrrolidine-2-carbonyl)amino]pentyl]pyridin-1-ium-3-carboxamide
Molecular weight445.5
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-2.3
Synonyms3-carbamoyl-1-{5-(2-carbamoyl-pyrrolidin-1-yl)-5-oxo-4-[(5-oxo-pyrrolidine-2-carbonyl)-amino]-pentyl}-pyridinium;
1-[4-(5-Oxo-2-pyrrolidinylcarbonylamino)-5-oxo-5-[2-(aminocarbonyl)pyrrolizino]pentyl]-3-(aminocarbonyl)pyridinium
BDBM50156182
Inchi KeyLHYYFEMGRONARO-UHFFFAOYSA-O
Inchi IDInChI=1S/C21H28N6O5/c22-18(29)13-4-1-9-26(12-13)10-2-5-15(25-20(31)14-7-8-17(28)24-14)21(32)27-11-3-6-16(27)19(23)30/h1,4,9,12,14-16H,2-3,5-8,10-11H2,(H5-,22,23,24,25,28,29,30,31)/p+1
PubChem CID44398328
ChEMBLN/A
IUPHARN/A
BindingDB50156182
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
187992Thyrotropin-releasing hormone receptorQ01717TrhrRattus norvegicus (Rat)412

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