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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	CHEMBL98828
Molecular formula	C24H27ClN6O4
IUPAC name	tert-butyl N-[6-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxohexyl]carbamate
Molecular weight	498.968
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.0
Synonyms	[5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester BDBM50065765 N-[9-Chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazoline-5-yl]-6-(tert-butoxycarbonylamino)hexanamide
Inchi Key	AXNAZVNXRUWDTF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)
PubChem CID	10505508
ChEMBL	CHEMBL98828
IUPHAR	N/A
BindingDB	50065765
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
16869	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
16870	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
16868	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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