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Ligand

NameCHEMBL191346
Molecular formulaC22H31N6O5+
IUPAC name1-[6-(2-carbamoylpyrrolidin-1-yl)-6-oxo-5-[(5-oxopyrrolidine-2-carbonyl)amino]hexyl]pyridin-1-ium-3-carboxamide
Molecular weight459.527
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP-2.0
Synonyms1-[5-(5-Oxo-2-pyrrolidinylcarbonylamino)-6-oxo-6-[2-(aminocarbonyl)pyrrolizino]hexyl]-3-(aminocarbonyl)pyridinium
BDBM50156183
3-carbamoyl-1-{6-(2-carbamoyl-pyrrolidin-1-yl)-6-oxo-5-[(5-oxo-pyrrolidine-2-carbonyl)-amino]-hexyl}-pyridinium;
Inchi KeyGZHUROBPKHYTPP-UHFFFAOYSA-O
Inchi IDInChI=1S/C22H30N6O5/c23-19(30)14-5-3-11-27(13-14)10-2-1-6-16(26-21(32)15-8-9-18(29)25-15)22(33)28-12-4-7-17(28)20(24)31/h3,5,11,13,15-17H,1-2,4,6-10,12H2,(H5-,23,24,25,26,29,30,31,32)/p+1
PubChem CID44398398
ChEMBLN/A
IUPHARN/A
BindingDB50156183
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
109034Thyrotropin-releasing hormone receptorQ01717TrhrRattus norvegicus (Rat)412

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