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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	CHEMBL3890613
Molecular formula	C23H28F3N5O
IUPAC name	2-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carbaldehyde
Molecular weight	447.506
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.6
Synonyms	US9181249, 118 BDBM191005 HEUAXVUHAAMCND-NRFANRHFSA-N (S)-2-(4-((2,4-difluorophenyl)fluoromethyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carbaldehyde SCHEMBL16818377
Inchi Key	HEUAXVUHAAMCND-NRFANRHFSA-N
Inchi ID	InChI=1S/C23H28F3N5O/c1-14(2)27-22-23(29-19-7-8-30(13-32)12-20(19)28-22)31-9-5-15(6-10-31)21(26)17-4-3-16(24)11-18(17)25/h3-4,11,13-15,21H,5-10,12H2,1-2H3,(H,27,28)/t21-/m0/s1
PubChem CID	118159387
ChEMBL	CHEMBL3890613
IUPHAR	N/A
BindingDB	191005
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
538756	G-protein coupled receptor 6	P46095	GPR6	Homo sapiens (Human)	362

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