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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	Cgs 15943
Molecular formula	C13H8ClN5O
IUPAC name	9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Molecular weight	285.691
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.5
Synonyms	Tox21_500324 9-chloro-2-(furan-2-yl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AKOS015906465 CCG-100792 HMS2051C13 Lopac0_000324 NCGC00015193-01 NCGC00025264-02 SCHEMBL1906971 9-Chloro-2-(2-furanyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-amine 9-Chloro-2-(2-furanyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine [1,2,4]Triazolo[1,5-c]quinazolin-5-amine,9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) B6835 CGS-15943 CTK4A3171 HMS3393C13 MLS000758223 NCGC00015193-04 NCGC00261009-01 (1,2,4)Triazolo(1,5-c)quinazolin-5-amine, 9-chloro-2-(2-furanyl)- SR-01000075210 SYN5006 9-chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine AC1Q3MS4 BRD-K49049886-001-03-8 CHEBI:131351 EU-0100324 L000176 MSJODEOZODDVGW-UHFFFAOYSA-N NCGC00015193-07 PDSP2_001076 ZINC3872013 9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine AOB33765 CHEMBL16687 HMS3261A09 LP00324 NCGC00015193-02 NCGC00025264-03 SCHEMBL3844736 9-chloro-2-(2-furanyl)-1,2,4-triazolo[1.5-c]quinazolin-5-amine 9-chloro-2-(2-furyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-imine [9-chloro-2-(furan-2-yl)-4H-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-amine 9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine(CGS 15943) BDBM50004566 CGS-15943, solid D0Q6WX I14-22041 MLS001423961 NCGC00015193-05 Nonnucleoside analog, 4 SR-01000075210-1 Tocris-1699 9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine ACMC-20ddlj C-199 CHEBI:92849 GTPL384 Lopac-C-199 NC00042 NCGC00025264-01 SAM001246973 [1,2,4]Triazolo[1,5-c]quinazolin-5-amine, 9-chloro-2-(2-furanyl)- 9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine AS-16373 CGS 15943A CPD000449284 HMS3268O19 LS-184727 NCGC00015193-03 NCGC00025264-04 SMR000449284 9-chloro-2-(2-furanyl)-5,6-dihydro-1,2,4-triazolo (1,5-c)quinazolin-5-imine 9-chloro-2-(2-furyl)-5-imino-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazoline AC1L1E8T BN0142 CGS15943 DTXSID80146617 J-001205 MolPort-003-940-664 NCGC00015193-06 PDSP1_001092 104615-18-1 SR-01000075210-3 [ Show all ]
Inchi Key	MSJODEOZODDVGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
PubChem CID	2690
ChEMBL	CHEMBL16687
IUPHAR	384
BindingDB	50004566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	6.0 nM	PMID2374150	BindingDB,ChEMBL
IC50	21.0 nM	PMID8863790, PMID3361572	BindingDB,ChEMBL
Ki	3.5 nM	PMID24164628	BindingDB,ChEMBL
Ki	6.4 nM	, PMID9622554, PMID8676354, Bioorg. Med. Chem. Lett., (1994) 4:21:2539	BindingDB,ChEMBL
Ki	20.5 nM	PMID1501234	ChEMBL
Ki	21.0 nM	PMID1501234, PMID1738138, PMID9667972, PMID2342066, PMID11262085	BindingDB,ChEMBL
Ki	21000.0 nM	PMID8558508	BindingDB,ChEMBL

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