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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	CHEMBL3318846
Molecular formula	C52H60Cl2F2N4O6
IUPAC name	[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] 3-[4-[3-[4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]oxy-3-oxopropyl]piperazin-1-yl]propanoate
Molecular weight	945.971
Hydrogen bond acceptor	12
Hydrogen bond donor	0
XlogP	8.3
Synonyms	BDBM50053409
Inchi Key	BXOPFJXHIDYFEL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C52H60Cl2F2N4O6/c53-43-13-9-41(10-14-43)51(23-31-57(32-24-51)27-1-3-47(61)39-5-17-45(55)18-6-39)65-49(63)21-29-59-35-37-60(38-36-59)30-22-50(64)66-52(42-11-15-44(54)16-12-42)25-33-58(34-26-52)28-2-4-48(62)40-7-19-46(56)20-8-40/h5-20H,1-4,21-38H2
PubChem CID	118709173
ChEMBL	CHEMBL3318846
IUPHAR	N/A
BindingDB	50053409
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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
443081	D(1A) dopamine receptor	P50130	DRD1	Sus scrofa (Pig)	446
443080	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
443078	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
443079	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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