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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	CHEMBL453594
Molecular formula	C27H40FN5O2
IUPAC name	N-cycloheptyl-2-[4-(4-fluoropiperidin-1-yl)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
Molecular weight	485.648
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.1
Synonyms	BDBM50243946 N-cycloheptyl-2-(4-(4-fluoropiperidin-1-yl)piperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
Inchi Key	BHPCVVBZXHQNET-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H40FN5O2/c1-34-24-17-22-23(18-25(24)35-2)30-27(31-26(22)29-20-7-5-3-4-6-8-20)33-15-11-21(12-16-33)32-13-9-19(28)10-14-32/h17-21H,3-16H2,1-2H3,(H,29,30,31)
PubChem CID	44561172
ChEMBL	CHEMBL453594
IUPHAR	N/A
BindingDB	50243946
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
23933	C-C chemokine receptor type 4	P51679	CCR4	Homo sapiens (Human)	360
23934	C-C chemokine receptor type 4	P51680	Ccr4	Mus musculus (Mouse)	360

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