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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	CHEMBL3616496
Molecular formula	C22H22ClN5O6S
IUPAC name	6-(5-chloropyrimidin-2-yl)-3-[4-[(2S)-3-ethylsulfonyl-2-hydroxypropoxy]-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
Molecular weight	519.957
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	1.6
Synonyms	BDBM50120784 SCHEMBL12257974
Inchi Key	GCQMRTLJHLGXML-KRWDZBQOSA-N
Inchi ID	InChI=1S/C22H22ClN5O6S/c1-3-35(31,32)12-17(29)11-34-19-5-4-16(7-20(19)33-2)27-13-26-28-10-14(6-18(28)22(27)30)21-24-8-15(23)9-25-21/h4-10,13,17,29H,3,11-12H2,1-2H3/t17-/m0/s1
PubChem CID	45279319
ChEMBL	CHEMBL3616496
IUPHAR	N/A
BindingDB	50120784
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
474396	Melanin-concentrating hormone receptor 1	P97639	Mchr1	Rattus norvegicus (Rat)	353
474397	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422

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