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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	CHEMBL1681882
Molecular formula	C26H34Cl2FN5O
IUPAC name	5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight	522.49
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM50337251 SCHEMBL13205646 (S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
Inchi Key	LXEUJQNDOXTGHH-NRFANRHFSA-N
Inchi ID	InChI=1S/C26H34Cl2FN5O/c1-3-21-17-33(25-23(28)13-19(15-31-25)26(35)30-4-2)11-12-34(21)22-7-9-32(10-8-22)16-18-5-6-20(27)14-24(18)29/h5-6,13-15,21-22H,3-4,7-12,16-17H2,1-2H3,(H,30,35)/t21-/m0/s1
PubChem CID	11569938
ChEMBL	CHEMBL1681882
IUPHAR	N/A
BindingDB	50337251
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
198669	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
198670	C-X-C chemokine receptor type 3	Q9JII9	Cxcr3	Rattus norvegicus (Rat)	367
198671	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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