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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	CHEMBL1681868
Molecular formula	C25H33Cl2N5O
IUPAC name	5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-ethylpyridine-3-carboxamide
Molecular weight	490.473
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50337236 SCHEMBL13205694 (S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-ethylnicotinamide
Inchi Key	AHGWRVSBIUYYIH-SFHVURJKSA-N
Inchi ID	InChI=1S/C25H33Cl2N5O/c1-3-28-25(33)20-14-23(27)24(29-15-20)31-12-13-32(18(2)16-31)22-8-10-30(11-9-22)17-19-4-6-21(26)7-5-19/h4-7,14-15,18,22H,3,8-13,16-17H2,1-2H3,(H,28,33)/t18-/m0/s1
PubChem CID	53322509
ChEMBL	CHEMBL1681868
IUPHAR	N/A
BindingDB	50337236
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
5533	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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