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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	MLS000068755
Molecular formula	C22H18ClN5O
IUPAC name	N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide
Molecular weight	403.87
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.7
Synonyms	MLS-0014644.0001 N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloro-benzamide STK524879 AKOS005458573 MLS002581297 regid857446 ZINC2278205 CHEMBL1575869 N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]quinoxalinyl)-2-chlorobenzamide SR-01000613485 372505-45-8 KUC113455N MLS-0014644.0002 N-(1-butyl-3-cyanopyrrolo[3,2-b]quinoxalin-2-yl)-2-chlorobenzamide US9045483, 2 BDBM30722 MolPort-002-552-576 SCHEMBL6980462 cid_658797 N-(1-butyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloranyl-benzamide SR-01000613485-2 AC1LCZH9 MCULE-5703379601 Oprea1_847061 YTL-373-003 C4 N-(1-butyl-3-cyano-1H-pyrrolo[2,3-b]quinoxalin-2-yl)-2-chlorobenzamide SMR000039762 HMS2377L24 [ Show all ]
Inchi Key	ABIGPTDIQKRVCS-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	658797
ChEMBL	CHEMBL1575869
IUPHAR	N/A
BindingDB	30722
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
879	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
882	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
880	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
881	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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