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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	CHEMBL240116
Molecular formula	C33H40N4O
IUPAC name	1-[[4-(3-cyanophenyl)phenyl]methyl]-1-[2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]ethyl]-3-propan-2-ylurea
Molecular weight	508.71
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50209702 1-(3''-cyano-4-biphenylmethyl)-3-isopropyl-1-{2-[1-(4-methylbenzyl)-4-piperidinyl]ethyl}urea
Inchi Key	AKAAKXSPGNFTCK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H40N4O/c1-25(2)35-33(38)37(24-29-11-13-31(14-12-29)32-6-4-5-30(21-32)22-34)20-17-27-15-18-36(19-16-27)23-28-9-7-26(3)8-10-28/h4-14,21,25,27H,15-20,23-24H2,1-3H3,(H,35,38)
PubChem CID	44437519
ChEMBL	CHEMBL240116
IUPHAR	N/A
BindingDB	50209702
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
7371	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
7370	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422

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