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Ligand

NameCHEMBL1080571
Molecular formulaC26H32N4O2
IUPAC name(2R)-2-[(4R)-1-ethyl-3-methyl-4-[(4-methylphenoxy)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N-methyl-2-phenylacetamide
Molecular weight432.568
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50313181
(R)-2-((R)-1-ethyl-3-methyl-4-(p-tolyloxymethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
Inchi KeyAEGZZSHIIWIBBQ-UKILVPOCSA-N
Inchi IDInChI=1S/C26H32N4O2/c1-5-30-22-15-16-29(25(26(31)27-4)20-9-7-6-8-10-20)23(24(22)19(3)28-30)17-32-21-13-11-18(2)12-14-21/h6-14,23,25H,5,15-17H2,1-4H3,(H,27,31)/t23-,25+/m0/s1
PubChem CID46880450
ChEMBLCHEMBL1080571
IUPHARN/A
BindingDB50313181
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
3458Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
3459Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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