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Ligand

NameSCHEMBL565136
Molecular formulaC26H33ClN2O3
IUPAC name1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
Molecular weight457.011
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsCHEMBL3646334
BDBM121129
US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
Inchi KeyIOXBZEKQVLIIQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
PubChem CID58080413
ChEMBLN/A
IUPHARN/A
BindingDB121129
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
534518Prokineticin receptor 2Q8NFJ6PROKR2Homo sapiens (Human)384

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