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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	CHEMBL229462
Molecular formula	C24H30ClFN4OS
IUPAC name	1-[4-[5-(aminomethyl)thiophen-2-yl]cyclohex-3-en-1-yl]-3-(3-chloro-4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)urea
Molecular weight	477.039
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.7
Synonyms	SCHEMBL13810622 1-(4-(5-(aminomethyl)thiophen-2-yl)cyclohex-3-enyl)-3-(3-chloro-4-fluorophenyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea BDBM50215593
Inchi Key	HRWGQZJKGXMOQB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H30ClFN4OS/c25-21-15-18(5-9-22(21)26)28-24(31)30(14-13-29-11-1-2-12-29)19-6-3-17(4-7-19)23-10-8-20(16-27)32-23/h3,5,8-10,15,19H,1-2,4,6-7,11-14,16,27H2,(H,28,31)
PubChem CID	11719877
ChEMBL	CHEMBL229462
IUPHAR	N/A
BindingDB	50215593
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
122475	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353
122476	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422

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