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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	CHEMBL1681849
Molecular formula	C30H33Cl2F2N5O
IUPAC name	5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
Molecular weight	588.525
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.9
Synonyms	SCHEMBL13205673 (S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)-N-(3,4-difluorobenzyl)nicotinamide BDBM50337218
Inchi Key	KXOXGMSSGWQNPP-FQEVSTJZSA-N
Inchi ID	InChI=1S/C30H33Cl2F2N5O/c1-20-18-38(12-13-39(20)25-8-10-37(11-9-25)19-21-2-5-24(31)6-3-21)29-26(32)15-23(17-35-29)30(40)36-16-22-4-7-27(33)28(34)14-22/h2-7,14-15,17,20,25H,8-13,16,18-19H2,1H3,(H,36,40)/t20-/m0/s1
PubChem CID	53318560
ChEMBL	CHEMBL1681849
IUPHAR	N/A
BindingDB	50337218
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
180642	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
180643	C-X-C chemokine receptor type 3	Q9JII9	Cxcr3	Rattus norvegicus (Rat)	367
180644	C-X-C chemokine receptor type 3	O88410	Cxcr3	Mus musculus (Mouse)	367

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