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Ligand

NameMLS000068755
Molecular formulaC22H18ClN5O
IUPAC nameN-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide
Molecular weight403.87
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.7
SynonymsSMR000039762
N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide
AC1LCZH9
regid857446
Oprea1_847061
[ Show all ]
Inchi KeyABIGPTDIQKRVCS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
PubChem CID658797
ChEMBLCHEMBL1575869
IUPHARN/A
BindingDB30722
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8795-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
882Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
880Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
881Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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