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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	CHEMBL262319
Molecular formula	C33H37Cl2F3N4O
IUPAC name	[4-[2-[(1S)-1-amino-2-methylpropyl]-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[(3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl]methanone
Molecular weight	633.581
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	6.7
Synonyms	BDBM50224679 trans-(4-(2-((S)-1-amino-2-methylpropyl)-4-(trifluoromethyl)phenyl)piperazin-1-yl)((3S,4R)-1-benzyl-4-(2,4-dichlorophenyl)pyrrolidin-3-yl)methanone
Inchi Key	ACRMJAQSELDLDA-QXIHQKPUSA-N
Inchi ID	InChI=1S/C33H37Cl2F3N4O/c1-21(2)31(39)26-16-23(33(36,37)38)8-11-30(26)41-12-14-42(15-13-41)32(43)28-20-40(18-22-6-4-3-5-7-22)19-27(28)25-10-9-24(34)17-29(25)35/h3-11,16-17,21,27-28,31H,12-15,18-20,39H2,1-2H3/t27-,28+,31-/m0/s1
PubChem CID	44433564
ChEMBL	CHEMBL262319
IUPHAR	N/A
BindingDB	50224679
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
1838	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332

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