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Ligand

NameCHEMBL3586440
Molecular formulaC22H25N7O
IUPAC name[(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-methyl-6-(triazol-2-yl)phenyl]methanone
Molecular weight403.49
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50097360
Inchi KeyLZBCUAJVFRLZRO-HDICACEKSA-N
Inchi IDInChI=1S/C22H25N7O/c1-14-5-4-6-19(29-23-7-8-24-29)20(14)21(30)27-10-17-12-28(13-18(17)11-27)22-25-15(2)9-16(3)26-22/h4-9,17-18H,10-13H2,1-3H3/t17-,18+
PubChem CID122180343
ChEMBLCHEMBL3586440
IUPHARN/A
BindingDB50097360
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
487647Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
487648Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
487649Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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