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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	CHEMBL313258
Molecular formula	C23H27ClN4O2
IUPAC name	ethyl 4-(azepan-1-yl)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular weight	426.945
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	1-(beta-Chlorophenethyl)-4-(hexahydro-1H-azepine-1-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
Inchi Key	BOORXVUWVWWNBQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H27ClN4O2/c1-2-30-23(29)19-14-25-22-18(21(19)27-12-8-3-4-9-13-27)15-26-28(22)16-20(24)17-10-6-5-7-11-17/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3
PubChem CID	11059019
ChEMBL	CHEMBL313258
IUPHAR	N/A
BindingDB	N/A
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
28990	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
28989	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412

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