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Ligand

NameSCHEMBL1671430
Molecular formulaC22H22N4OS
IUPAC name[2-(4-methylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-thiophen-2-ylphenyl)methanone
Molecular weight390.505
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
SynonymsCHEMBL3646183
BDBM118379
2-(4-Methylpyrimidin-2-yl)-5-[(2-thiophen-2-ylphenyl)carbonyl]octahydro-pyrrolo[3,4-c]pyrrole
US8653263, 32
AJFJWKCDKOIHQS-UHFFFAOYSA-N
Inchi KeyAJFJWKCDKOIHQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
PubChem CID52916929
ChEMBLCHEMBL3646183
IUPHARN/A
BindingDB118379
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
6863Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6862Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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