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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	CHEMBL395225
Molecular formula	C37H37F4N5O
IUPAC name	1-[2-(3,5-dimethylphenyl)-3-[(2S)-1-(2-quinoxalin-6-ylethylamino)propan-2-yl]-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl]-2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone
Molecular weight	643.731
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.4
Synonyms	BDBM50213671 (S)-1-(2-(3,5-dimethylphenyl)-3-(1-(2-(quinoxalin-6-yl)ethylamino)propan-2-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-5(4H)-yl)-2-(2-fluoro-6-(trifluoromethyl)phenyl)ethanone
Inchi Key	BCMJQNQMYZULNM-XMMPIXPASA-N
Inchi ID	InChI=1S/C37H37F4N5O/c1-22-15-23(2)17-26(16-22)36-35(24(3)20-42-11-9-25-7-8-32-33(18-25)44-13-12-43-32)28-21-46(14-10-31(28)45-36)34(47)19-27-29(37(39,40)41)5-4-6-30(27)38/h4-8,12-13,15-18,24,42,45H,9-11,14,19-21H2,1-3H3/t24-/m1/s1
PubChem CID	44432648
ChEMBL	CHEMBL395225
IUPHAR	N/A
BindingDB	50213671
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
20307	Gonadotropin-releasing hormone receptor	P30969	Gnrhr	Rattus norvegicus (Rat)	327
20308	Gonadotropin-releasing hormone receptor	P30968	GNRHR	Homo sapiens (Human)	328

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