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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	CHEMBL60510
Molecular formula	C25H29N3O3
IUPAC name	3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-6,7-dimethyl-1H-quinazoline-2,4-dione
Molecular weight	419.525
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-6,7-dimethyl-1H-quinazoline-2,4-dione BDBM50100218 6,7-Dimethyl-3-[2-(6-methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Inchi Key	CLIPGTAXZKATAJ-LAUBAEHRSA-N
Inchi ID	InChI=1S/C25H29N3O3/c1-15-11-20-22(12-16(15)2)26-25(30)28(24(20)29)10-9-27-13-17-7-8-19-18(21(17)14-27)5-4-6-23(19)31-3/h4-6,11-12,17,21H,7-10,13-14H2,1-3H3,(H,26,30)/t17-,21+/m0/s1
PubChem CID	10606657
ChEMBL	CHEMBL60510
IUPHAR	N/A
BindingDB	50100218
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
44753	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
44752	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
44751	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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