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Ligand

NameSCHEMBL6925282
Molecular formulaC25H26FN5O
IUPAC name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[3-fluoro-2-(3-methylpyridin-2-yl)phenyl]methanone
Molecular weight431.515
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.7
SynonymsCHEMBL3652507
BDBM118718
US8653263, 371
Inchi KeyAGHZTDJQLUCLEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26FN5O/c1-15-6-5-9-27-23(15)22-20(7-4-8-21(22)26)24(32)30-11-18-13-31(14-19(18)12-30)25-28-16(2)10-17(3)29-25/h4-10,18-19H,11-14H2,1-3H3
PubChem CID69939343
ChEMBLCHEMBL3652507
IUPHARN/A
BindingDB118718
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
4898Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
4897Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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