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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	CHEMBL185094
Molecular formula	C39H43ClFN5O2
IUPAC name	(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[1-[2-(2-fluorophenyl)ethylamino]ethyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight	668.254
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	6.3
Synonyms	BDBM50152820 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{1-[2-(2-fluoro-phenyl)-ethylamino]-ethyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
Inchi Key	ACJLOAVPAVWLDZ-MIDVGDEHSA-N
Inchi ID	InChI=1S/C39H43ClFN5O2/c1-27(42-19-18-29-8-4-6-12-34(29)41)33-11-5-7-13-37(33)45-20-22-46(23-21-45)39(48)36(24-28-14-16-32(40)17-15-28)44-38(47)35-25-30-9-2-3-10-31(30)26-43-35/h2-17,27,35-36,42-43H,18-26H2,1H3,(H,44,47)/t27?,35-,36-/m1/s1
PubChem CID	44393889
ChEMBL	CHEMBL185094
IUPHAR	N/A
BindingDB	50152820
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
1632	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332

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