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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	CHEMBL303988
Molecular formula	C25H31N3O4
IUPAC name	3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6,7-dimethoxy-1,2-dihydroquinazolin-4-one
Molecular weight	437.54
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	BDBM50100226 6,7-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,3-dihydro-1H-quinazolin-4-one
Inchi Key	AXGQSWAGPJPUTJ-OXJNMPFZSA-N
Inchi ID	InChI=1S/C25H31N3O4/c1-30-22-6-4-5-17-18(22)8-7-16-13-27(14-20(16)17)9-10-28-15-26-21-12-24(32-3)23(31-2)11-19(21)25(28)29/h4-6,11-12,16,20,26H,7-10,13-15H2,1-3H3/t16-,20+/m0/s1
PubChem CID	10622830
ChEMBL	CHEMBL303988
IUPHAR	N/A
BindingDB	50100226
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
16692	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
16690	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
16691	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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