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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.
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Ligand

Name	7-(2-Chloroethyl)theophylline
Molecular formula	C9H11ClN4O2
IUPAC name	7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
Molecular weight	242.663
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.1
Synonyms	AE-641/00846053 C-30389 DB-053265 I14-94190 KM0242 NSC-337614 Spectrum2_001817 UNII-Y7202UN6B7 7-(2-chloroethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 7-(beta-Chlorethyl)theophylline 7-(Chloroethyl)theophylline Benaphyllin CHEBI:107641 EINECS 227-553-2 KBio2_005008 MCULE-9073649637 SBB005578 1H-Purine-2, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- Spectrum5_001734 7-(.beta.-Chloroethyl)theophylline ZB000216 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione AC1L1CG0 BRN 0251755 Chloroethyltheophylline (Related) GS-6128 KBioGR_001699 NCGC00178475-01 SPBio_001833 1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- STK526074 7-(2-chloroethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione AKOS005459325 CC-23016 DivK1c_006887 KBio1_001831 KS-0000137C NSC337614 .beta.-Chloroethyltheophylline Spectrum3_001020 5878-61-5 WLN: T56 BN DN FNVNVJ B2G F1 H1 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-(beta-CHLOROETHYL)-THEOPHYLLINE 7-CHLOROETHYLTHEOPHYLLINE beta-Chloroethyltheophylline Eupnophile KBio2_007576 MLS001048889 SCHEMBL515987 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- Spectrum_001908 7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione ZINC999 7-(2-Chloroethyl)-1,3-dimethylxanthine AC1Q3ZGU BSPBio_002779 CTK5A8880 HMS2268J18 KBioSS_002446 NSC 337614 SpecPlus_000791 4-26-00-02346 (Beilstein Handbook Reference) Theophylline, 7-(2-chloroethyl)- 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 7-(2-Chloroethyl)theophylline, 97% BDBM50025584 CCG-39948 DTXSID80207510 KBio2_002440 LS-149448 QCIARNIKNKKHFH-UHFFFAOYSA-N 1,3-Dimethyl-7-( beta-chloroethyl)xanthine Spectrum4_001150 7-(.beta.-Chlorethyl)theophylline Y7202UN6B7 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione # 7-(beta-Chloroethyl)theophylline AB00053252-09 BRD-K52592505-001-02-4 CHEMBL23903 FT-0635895 KBio3_001999 MolPort-000-707-416 SMR000387086 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl- (9CI) ST50298839 7-(2-Chloroethyl)-1,3-dimethyl-(1H,3H)-purine-2,6-dione 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione [ Show all ]
Inchi Key	QCIARNIKNKKHFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11ClN4O2/c1-12-7-6(8(15)13(2)9(12)16)14(4-3-10)5-11-7/h5H,3-4H2,1-2H3
PubChem CID	1882
ChEMBL	CHEMBL23903
IUPHAR	N/A
BindingDB	50025584
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
274832	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
274830	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
274834	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
556541	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
274831	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
274833	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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