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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	CHEMBL1684573
Molecular formula	C28H36N4O4
IUPAC name	2-[2-(3-methoxyphenyl)-4-oxo-6-(3-piperidin-1-ylpropoxy)quinazolin-3-yl]-N-propan-2-ylacetamide
Molecular weight	492.62
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	ZINC38228094 N-isopropyl-2-(2-(3-methoxyphenyl)-4-oxo-6-(3-(piperidin-1-yl)propoxy)quinazolin-3(4H)-yl)acetamide BDBM50338810 Compound 12i SCHEMBL3114804 MolPort-042-665-771 [ Show all ]
Inchi Key	NQOZPTYIJQUKTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H36N4O4/c1-20(2)29-26(33)19-32-27(21-9-7-10-22(17-21)35-3)30-25-12-11-23(18-24(25)28(32)34)36-16-8-15-31-13-5-4-6-14-31/h7,9-12,17-18,20H,4-6,8,13-16,19H2,1-3H3,(H,29,33)
PubChem CID	11677610
ChEMBL	CHEMBL1684573
IUPHAR	N/A
BindingDB	50338810
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
229690	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
229691	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
229689	Vasopressin V1b receptor	P48974	Avpr1b	Rattus norvegicus (Rat)	425
229692	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424
229693	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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