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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	MLS000731911
Molecular formula	C23H28FN3OS
IUPAC name	1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
Molecular weight	413.555
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.6
Synonyms	1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine cid_16190127 1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine ZINC13593387 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-(methoxymethyl)piperidine HMS2767G22 MolPort-005-113-753 CHEMBL1572068 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine MCULE-8594165509 BDBM83346 SMR000316480 [ Show all ]
Inchi Key	AVXGHKWEEAVFKR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H28FN3OS/c1-16-12-20(17(2)29-16)23-19(13-26-10-8-18(9-11-26)15-28-3)14-27(25-23)22-7-5-4-6-21(22)24/h4-7,12,14,18H,8-11,13,15H2,1-3H3
PubChem CID	16190127
ChEMBL	CHEMBL1572068
IUPHAR	N/A
BindingDB	83346
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
15738	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
15739	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
15740	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
15737	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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