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Ligand

NameCHEMBL3586432
Molecular formulaC21H23N7O
IUPAC name[(3aR,6aS)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight389.463
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.7
SynonymsBDBM50097380
Inchi KeyLCDKKZMNYHMDCH-CALCHBBNSA-N
Inchi IDInChI=1S/C21H23N7O/c1-14-9-15(2)25-21(24-14)27-12-16-10-26(11-17(16)13-27)20(29)18-5-3-4-6-19(18)28-22-7-8-23-28/h3-9,16-17H,10-13H2,1-2H3/t16-,17+
PubChem CID122180336
ChEMBLCHEMBL3586432
IUPHARN/A
BindingDB50097380
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
485678Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
485677Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
485679Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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