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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	CHEMBL3958294
Molecular formula	C21H34N6O3
IUPAC name	tert-butyl 4-[6-acetyl-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxylate
Molecular weight	418.542
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.4
Synonyms	tert-butyl 4-(6-acetyl-3-(isopropylamino)-5,6,7,8-tetrahydropyrido[3,4-b]pyrazin-2-yl)piperazine-1-carboxylate BDBM191026 CJEZYFCOYOMTCD-UHFFFAOYSA-N US9181249, 138 SCHEMBL16818256
Inchi Key	CJEZYFCOYOMTCD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H34N6O3/c1-14(2)22-18-19(24-16-7-8-27(15(3)28)13-17(16)23-18)25-9-11-26(12-10-25)20(29)30-21(4,5)6/h14H,7-13H2,1-6H3,(H,22,23)
PubChem CID	118159271
ChEMBL	CHEMBL3958294
IUPHAR	N/A
BindingDB	191026
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
517525	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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