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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	CHEMBL200242
Molecular formula	C26H30ClFN4O2
IUPAC name	N-[5-chloro-2-[(E)-3-[3-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-3-oxoprop-1-enyl]phenyl]-2-(dimethylamino)acetamide
Molecular weight	485.0
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	PANTVKZNEGNKCZ-WUXMJOGZSA-N SCHEMBL5280032 BDBM50174710 N-(2-(3-(3-(4-fluorobenzyl)-3,8-diaza-bicyclo[3.2.1]octan-8-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)-2-(dimethylamino)acetamide (E)-N-(5-Chloro-2-{3-[3-(4-fluorobenzyl)-3,8-diazabicyclo[3.2.1]oct-8-yl]-3-oxopropenyl}-phenyl)-2-dimethylaminoacetamide SCHEMBL5280040 [ Show all ]
Inchi Key	PANTVKZNEGNKCZ-WUXMJOGZSA-N
Inchi ID	InChI=1S/C26H30ClFN4O2/c1-30(2)17-25(33)29-24-13-20(27)7-5-19(24)6-12-26(34)32-22-10-11-23(32)16-31(15-22)14-18-3-8-21(28)9-4-18/h3-9,12-13,22-23H,10-11,14-17H2,1-2H3,(H,29,33)/b12-6+
PubChem CID	11554849
ChEMBL	CHEMBL200242
IUPHAR	N/A
BindingDB	50174710
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
254945	C-C chemokine receptor type 1	P51675	Ccr1	Mus musculus (Mouse)	355
254946	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355

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