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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	CHEMBL3234574
Molecular formula	C25H30F3N7O
IUPAC name	(2S)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
Molecular weight	501.558
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	3.7
Synonyms	BDBM50003076
Inchi Key	JNWZPZQICCVLFU-FQEVSTJZSA-N
Inchi ID	InChI=1S/C25H30F3N7O/c1-33-12-14-34(15-13-33)21-16-22(32-24(31-21)25(26,27)28)35-11-3-2-4-20(35)23(36)30-10-9-18-5-7-19(17-29)8-6-18/h5-8,16,20H,2-4,9-15H2,1H3,(H,30,36)/t20-/m0/s1
PubChem CID	90654563
ChEMBL	CHEMBL3234574
IUPHAR	N/A
BindingDB	50003076
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
155531	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329
155532	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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