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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	CHEMBL3925646
Molecular formula	C34H44N6O2
IUPAC name	tert-butyl 2-[1-[[3-piperazin-1-ylpropyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl]acetate
Molecular weight	568.766
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	US9314468, Table 9, Compound 7 BDBM221803 SCHEMBL13510462 US9314468, Table 7, Compound 90
Inchi Key	AQKCUDVGYZOCIQ-PMERELPUSA-N
Inchi ID	InChI=1S/C34H44N6O2/c1-34(2,3)42-31(41)24-40-29-12-5-4-11-26(29)27-14-16-36-28(33(27)40)23-39(20-8-19-38-21-17-35-18-22-38)30-13-6-9-25-10-7-15-37-32(25)30/h4-5,7,10-12,14-16,30,35H,6,8-9,13,17-24H2,1-3H3/t30-/m0/s1
PubChem CID	59176557
ChEMBL	CHEMBL3925646
IUPHAR	N/A
BindingDB	221803
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
536302	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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