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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	SCHEMBL1988590
Molecular formula	C31H30Cl2F4N4O3
IUPAC name	(4-fluorophenyl) N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate
Molecular weight	653.5
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	6.9
Synonyms	US9346786, 114 CHEMBL3970996 BDBM233310
Inchi Key	AYOVXTCZKHTEGV-RPLLCQBOSA-N
Inchi ID	InChI=1S/C31H30Cl2F4N4O3/c1-2-41(30(43)44-23-7-5-22(34)6-8-23)27-18-40(17-24(27)20-3-9-25(32)26(33)15-20)29(42)19-11-13-39(14-12-19)28-10-4-21(16-38-28)31(35,36)37/h3-10,15-16,19,24,27H,2,11-14,17-18H2,1H3/t24-,27+/m0/s1
PubChem CID	53245785
ChEMBL	CHEMBL3970996
IUPHAR	N/A
BindingDB	233310
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
536444	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465

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