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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	CHEMBL1077817
Molecular formula	C34H28F6N4O3
IUPAC name	2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
Molecular weight	654.613
Hydrogen bond acceptor	11
Hydrogen bond donor	0
XlogP	6.5
Synonyms	(R)-2-(3,5-bis(trifluoromethyl)phenyl)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)acetamide BDBM50310499
Inchi Key	BHIMXMNPLZLBIP-OAQYLSRUSA-N
Inchi ID	InChI=1S/C34H28F6N4O3/c1-3-47-27-12-10-26(11-13-27)44-31(42-29-9-5-4-8-28(29)32(44)46)21(2)43(20-22-7-6-14-41-19-22)30(45)17-23-15-24(33(35,36)37)18-25(16-23)34(38,39)40/h4-16,18-19,21H,3,17,20H2,1-2H3/t21-/m1/s1
PubChem CID	46883297
ChEMBL	CHEMBL1077817
IUPHAR	N/A
BindingDB	50310499
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
23782	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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