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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	MLS000682668
Molecular formula	C22H23F3N4OS
IUPAC name	2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
Molecular weight	448.508
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.1
Synonyms	MolPort-007-948-102 EU-0099157 SR-01000590376-1 2,5-dimethyl-4-(4-methylpiperidino)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide AKOS002109051 MLS-0267529.0001 CHEMBL1406762 SMR000312025 2,5-dimethyl-4-(4-methyl-1-piperidinyl)-N-[2-(trifluoromethyl)phenyl]-6-thieno[2,3-d]pyrimidinecarboxamide HMS2601K08 ZINC2924599 BDBM57757 cid_4137233 SR-01000590376 2,5-dimethyl-4-(4-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide AC1N4ZYT MCULE-6820970405 [ Show all ]
Inchi Key	BKBIFNJLMCCFLF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H23F3N4OS/c1-12-8-10-29(11-9-12)19-17-13(2)18(31-21(17)27-14(3)26-19)20(30)28-16-7-5-4-6-15(16)22(23,24)25/h4-7,12H,8-11H2,1-3H3,(H,28,30)
PubChem CID	4137233
ChEMBL	CHEMBL1406762
IUPHAR	N/A
BindingDB	57757
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
25628	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
25629	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
25627	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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