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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	CHEMBL223229
Molecular formula	C22H25ClN4O2
IUPAC name	butyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
Molecular weight	412.918
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.1
Synonyms	BDBM50176827 butyl 1-(2-chloro-2-phenylethyl)-4-(cyclopropylamino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Inchi Key	AVLJGOPRUJRUPH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25ClN4O2/c1-2-3-11-29-22(28)18-12-24-21-17(20(18)26-16-9-10-16)13-25-27(21)14-19(23)15-7-5-4-6-8-15/h4-8,12-13,16,19H,2-3,9-11,14H2,1H3,(H,24,26)
PubChem CID	11575180
ChEMBL	CHEMBL223229
IUPHAR	N/A
BindingDB	50176827
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
15386	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
15388	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
15387	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
442255	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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