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Ligand

NameCHEMBL257171
Molecular formulaC28H35N3O3
IUPAC name6,7-dimethyl-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
Molecular weight461.606
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50377218
Inchi KeyBZSFGIPFIXKNRM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N3O3/c1-20-15-24-26(16-21(20)2)34-19-28(33)31(24)18-27(32)30-14-8-11-23(22-9-4-3-5-10-22)25(30)17-29-12-6-7-13-29/h3-5,9-10,15-16,23,25H,6-8,11-14,17-19H2,1-2H3
PubChem CID44449079
ChEMBLCHEMBL257171
IUPHARN/A
BindingDB50377218
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36740Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
36741Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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