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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	CHEMBL2387289
Molecular formula	C22H30N4OS
IUPAC name	1-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-(thiophen-2-ylmethyl)urea
Molecular weight	398.569
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.8
Synonyms	BDBM50434388 SCHEMBL1728412
Inchi Key	CCDWSMJPLNHEDZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N4OS/c1-16-13-18(24-22(27)23-14-20-6-4-12-28-20)7-8-21(16)25-11-9-19(15-25)26-10-3-5-17(26)2/h4,6-8,12-13,17,19H,3,5,9-11,14-15H2,1-2H3,(H2,23,24,27)
PubChem CID	25263992
ChEMBL	CHEMBL2387289
IUPHAR	N/A
BindingDB	N/A
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
38493	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
38495	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
38496	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
38494	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422

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