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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	CHEMBL452847
Molecular formula	C18H20ClN5S
IUPAC name	6-chloro-2-(4-methylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
Molecular weight	373.903
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50412494 J3.528.910K 2-(4-Methyl-1-piperazinyl)-4-(2-thienylmethylamino)-6-chloroquinazoline VUF-10497
Inchi Key	OLJSGKYQYTWQNJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20ClN5S/c1-23-6-8-24(9-7-23)18-21-16-5-4-13(19)11-15(16)17(22-18)20-12-14-3-2-10-25-14/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22)
PubChem CID	25147772
ChEMBL	CHEMBL452847
IUPHAR	N/A
BindingDB	50412494
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
244356	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
244357	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
244358	Histamine H4 receptor	Q91ZY1	Hrh4	Rattus norvegicus (Rat)	391

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