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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	CHEMBL254589
Molecular formula	C31H40Cl2FN3O2
IUPAC name	N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
Molecular weight	576.578
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.9
Synonyms	BDBM50373487
Inchi Key	PWADIMGJQZHREF-GKRYNVPLSA-N
Inchi ID	InChI=1S/C31H40Cl2FN3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29-/m0/s1
PubChem CID	44448660
ChEMBL	CHEMBL254589
IUPHAR	N/A
BindingDB	50373487
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
270301	Melanocortin receptor 3	P41968	MC3R	Homo sapiens (Human)	323
270299	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
270300	Melanocortin receptor 4	P70596	Mc4r	Rattus norvegicus (Rat)	332
270298	Melanocortin receptor 5	P33032	MC5R	Homo sapiens (Human)	325

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