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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	14114-46-6
Molecular formula	C10H10N4O2
IUPAC name	3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.0
Synonyms	3,7-Dimethyl-1-propargylxanthine, >=98% (HPLC), powder AKOS016001452 CHEMBL282038 EU-0100428 Lopac0_000428 NCGC00015312-04 NSC242985 3,7-dimethyl-1-(2-propyn-1-yl)-3,7-dihydro-1h-purine-2,6-dione 5YFR5SPS6T BCP26239 CTK8B7549 HMS3261E18 MFCD00078576 NCGC00093849-02 SR-01000075249 3,7-dimethyl-1-(prop-2-yn-1-yl)purine-2,6-dione AC1Q6LFB CCG-204520 DS-16284 J-007467 NCGC00015312-02 NSC 242985 UNII-5YFR5SPS6T 1H-Purine-2,6-dione,3,7-dihydro-3,7-dimethyl-1-(2-propyn-1-yl)- 3,7-dimethyl-1-prop-2-ynylpurine-2,6-dione 3,7-Dimethyl-I-propargylxanthine ANW-57638 CJ-29818 FT-0614782 LP00428 NCGC00015312-05 SCHEMBL44805 3,7-Dimethyl-1-(2-propynyl)xanthine 6856AA BDBM50008386 D-134 HMS3370E07 MLS000862190 NCGC00093849-03 SR-01000075249-1 3,7-dimethyl-1-(prop-2-ynyl)-1H-purine-2,6(3H,7H)-dione 3,7-Dimethyl-1-propargylxanthine AJ-31622 DTXSID30161577 Lopac-D-134 NCGC00015312-03 NSC-242985 ZINC1764195 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)-1H-purine-2,6-dione AX8083132 CS-W004425 HMS2231E22 LS-184216 NCGC00093849-01 SMR000326953 3,7-Dimethyl-1-(prop-2-yn-1-yl)-1H-purine-2,6(3H,7H)-dione AC1L40ZE C-56140 DMPX IORPOFJLSIHJOG-UHFFFAOYSA-N NCGC00015312-01 NCGC00261113-01 Tox21_500428 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-1-(2-propynyl)- 3,7-Dimethyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione [ Show all ]
Inchi Key	IORPOFJLSIHJOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-9(15)7-8(11-6-12(7)2)13(3)10(14)16/h1,6H,5H2,2-3H3
PubChem CID	99562
ChEMBL	CHEMBL282038
IUPHAR	N/A
BindingDB	50008386
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
138130	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
138133	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
138134	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
138132	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
138131	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
447125	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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