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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	CHEMBL380914
Molecular formula	C19H19Cl2N7O5
IUPAC name	(2S,3S,4R,5R)-5-[2-chloro-6-[(3-chlorophenyl)carbamoylamino]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	496.305
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	1.3
Synonyms	BDBM50179041 N-[(3-Chlorophenyl)carbamoyl]-2-chloro-5'-(ethylamino)-5'-oxo-5'-deoxyadenosine 1-(2-chloro-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-tetrahydrofuran-2-yl)-9H-purin-6-yl)-3-(3-chlorophenyl)urea
Inchi Key	AKCBRQLOMNHFCW-PFHKOEEOSA-N
Inchi ID	InChI=1S/C19H19Cl2N7O5/c1-2-22-16(31)13-11(29)12(30)17(33-13)28-7-23-10-14(25-18(21)27-15(10)28)26-19(32)24-9-5-3-4-8(20)6-9/h3-7,11-13,17,29-30H,2H2,1H3,(H,22,31)(H2,24,25,26,27,32)/t11-,12+,13-,17+/m0/s1
PubChem CID	10743845
ChEMBL	CHEMBL380914
IUPHAR	N/A
BindingDB	50179041
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
7420	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
7421	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
7419	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320

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