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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	SMR000028904
Molecular formula	C21H22N6O3
IUPAC name	8,9-dimethoxy-N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight	406.446
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.7
Synonyms	8,9-dimethoxy-N-[(oxolan-2-yl)methyl]-2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine MCULE-8056223680 Z1172116136 AKOS004917156 MolPort-007-664-637 8,9-dimethoxy-2-pyridin-3-yl-N-(tetrahydrofuran-2-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine CHEMBL1402196 SR-01000135210 902949-78-4 MLS000093282 CCG-31615 regid4247604 8,9-dimethoxy-N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine HMS2446J18 SR-01000135210-1 AC1MMO5K MLS001367458 [ Show all ]
Inchi Key	AANGWBRVHPYSBI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H22N6O3/c1-28-17-9-15-16(10-18(17)29-2)24-21(23-12-14-6-4-8-30-14)27-20(15)25-19(26-27)13-5-3-7-22-11-13/h3,5,7,9-11,14H,4,6,8,12H2,1-2H3,(H,23,24)
PubChem CID	3241793
ChEMBL	CHEMBL1402196
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
354	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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