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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	CHEMBL380855
Molecular formula	C35H43ClFN5O2
IUPAC name	N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-(2,3-dihydro-1H-isoindol-1-yl)acetamide
Molecular weight	620.21
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.5
Synonyms	N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)-2-(isoindolin-1-yl)acetamide SCHEMBL14592938 BDBM50177563
Inchi Key	AITZMTQUXXOZQF-QYEGGPJFSA-N
Inchi ID	InChI=1S/C35H43ClFN5O2/c1-3-40(4-2)24-33(29-11-7-8-12-30(29)37)41-17-19-42(20-18-41)35(44)32(21-25-13-15-27(36)16-14-25)39-34(43)22-31-28-10-6-5-9-26(28)23-38-31/h5-16,31-33,38H,3-4,17-24H2,1-2H3,(H,39,43)/t31?,32-,33?/m1/s1
PubChem CID	10232787
ChEMBL	CHEMBL380855
IUPHAR	N/A
BindingDB	50177563
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
6522	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
6521	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
6523	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325
6520	Melanocyte-stimulating hormone receptor	Q01726	MC1R	Homo sapiens (Human)	317

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