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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	CHEMBL560747
Molecular formula	C25H30BrClN4S
IUPAC name	4-N-[(2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl]-6-N-butyl-2-methylsulfanylpyrimidine-4,6-diamine
Molecular weight	533.957
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	8.4
Synonyms	BDBM50298084 N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-butyl-2-(methylthio)pyrimidine-4,6-diamine
Inchi Key	AOPVMCZBSCHIFZ-HTAPYJJXSA-N
Inchi ID	InChI=1S/C25H30BrClN4S/c1-4-5-13-28-23-16-24(31-25(30-23)32-3)29-17(2)22(19-7-6-8-20(26)15-19)14-18-9-11-21(27)12-10-18/h6-12,15-17,22H,4-5,13-14H2,1-3H3,(H2,28,29,30,31)/t17-,22+/m0/s1
PubChem CID	45268629
ChEMBL	CHEMBL560747
IUPHAR	N/A
BindingDB	50298084
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
10501	Cannabinoid receptor 1	P20272	Cnr1	Rattus norvegicus (Rat)	473

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