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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	CHEMBL2170444
Molecular formula	C26H46N4
IUPAC name	3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
Molecular weight	414.682
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	3-[(2R)-2-methyl-1-piperidyl]-N-[[4-[[3-[(2R)-2-methyl-1-piperidyl]propylamino]methyl]phenyl]methyl]propan-1-amine CHEMBL2170298 BDBM50396847
Inchi Key	CAAWJPKOKADKRS-DNQXCXABSA-N
Inchi ID	InChI=1S/C26H46N4/c1-23-9-3-5-17-29(23)19-7-15-27-21-25-11-13-26(14-12-25)22-28-16-8-20-30-18-6-4-10-24(30)2/h11-14,23-24,27-28H,3-10,15-22H2,1-2H3/t23-,24-/m1/s1
PubChem CID	71451639
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50396847
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
37006	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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