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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	PEXACERFONT
Molecular formula	C18H24N6O
IUPAC name	N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular weight	340.431
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.8
Synonyms	SCHEMBL5235999 BMS562086;BMS 562086;BMS-562086 DTXSID60196675 459856-18-9 CRF1 ANTAGONIST Pyrazolo(1,5-a)-1,3,5-triazin-4-amine, 8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethyl-N-((1R)-1-methylpropyl)- BMS 562086 D10022 UNII-LF1VBG4ZUK HY-12127 Pexacerfont (USAN/INN) 8-(6-Methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-((1R)-1-methylpropyl)pyrazolo(1,5-a)-1,3,5-triazin-4-amine CS-6630 Pyrazolo[1,5-a]-1,3,5-triazine, 13-15 BMS-562086 DB12572 CHEMBL482950 LF1VBG4ZUK Pexacerfont [USAN:INN] BDBM29490 D0ZM5O [ Show all ]
Inchi Key	LBWQSAZEYIZZCE-SNVBAGLBSA-N
Inchi ID	InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
PubChem CID	9884366
ChEMBL	CHEMBL482950
IUPHAR	N/A
BindingDB	29490
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
183662	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
183666	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
183664	Corticotropin-releasing factor receptor 1	P35353	Crhr1	Rattus norvegicus (Rat)	415
183665	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444
183663	Corticotropin-releasing factor receptor 2	Q13324	CRHR2	Homo sapiens (Human)	411
183661	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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