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Ligand

NameSCHEMBL1671891
Molecular formulaC27H24N4OS
IUPAC name(2-phenylphenyl)-[2-(4-thiophen-2-ylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
Molecular weight452.576
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.9
SynonymsCHEMBL3646189
AAHDCERIKHANLG-UHFFFAOYSA-N
BDBM118385
US8653263, 38
2-(Biphenyl-2-ylcarbonyl)-5-(4-thiophen-2-ylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole
Inchi KeyAAHDCERIKHANLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24N4OS/c32-26(23-10-5-4-9-22(23)19-7-2-1-3-8-19)30-15-20-17-31(18-21(20)16-30)27-28-13-12-24(29-27)25-11-6-14-33-25/h1-14,20-21H,15-18H2
PubChem CID52917089
ChEMBLCHEMBL3646189
IUPHARN/A
BindingDB118385
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
202Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
201Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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