Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D01QYQ
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| Former ID |
DIB013446
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| Drug Name |
ATL-844
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| Synonyms |
N-(4-Cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide; MRS 1754; 264622-58-4; MRS-1754; MRS1754; CHEMBL273807; N-(4-cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide; N-(4-Cyanophenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetamide; [3H]MRS1754; [3H]-MRS1754; NCGC00015689-01; Lopac-M-6316; Lopac0_000729; GTPL453; GTPL449; MLS002153324; SCHEMBL1222380; AC1O7G54; CTK8E7916; CHEBI:93269; AOB5542; DTXSID80424967; MolPort-023-276-567; HMS3373J21; HMS3268F13; HMS2230A06; ZINC4475274; BDBM50086170; AKOS027427086; AKOS024457276; EX-3306; ATL-618; ATL-GW-22; ATL-GW-8; A2B adenosine receptor antagonists, Adenosine/Ortho-McNeil; A2B adenosine receptor antagonists (oral, asthma/diabetes), Adenosine Therapeutics; A2B adenosine receptor antagonists (oral, asthma/diabetes), Clinical Data
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| Drug Type |
Small molecular drug
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| Indication | Asthma [ICD-11: CA23; ICD-10: J45, J45.8; ICD-9: 493] | Investigative | [1] | |
| Company |
University of Virginia
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H26N6O4
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| Canonical SMILES |
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)C#N
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| InChI |
1S/C26H26N6O4/c1-3-13-31-24-22(25(34)32(14-4-2)26(31)35)29-23(30-24)18-7-11-20(12-8-18)36-16-21(33)28-19-9-5-17(15-27)6-10-19/h5-12H,3-4,13-14,16H2,1-2H3,(H,28,33)(H,29,30)
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| InChIKey |
AJBBEYXFRYFVNM-UHFFFAOYSA-N
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| CAS Number |
CAS 264622-58-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
11111478, 11646411, 14883713, 17405290, 24278793, 43223723, 48395000, 50106547, 50106548, 50106549, 52226893, 53777835, 56463251, 57370997, 85209186, 85231139, 85789113, 92304376, 103180854, 103985562, 114637051, 123051060, 124749949, 124799288, 124880758, 124880759, 127413921, 135650653, 135651182, 135698696, 162023183, 163122828, 170474554, 178127135, 181285846, 227454973, 241055655, 241376109, 249617683, 252156760, 252435845, 252451063
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| ChEBI ID |
CHEBI:93269
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2b receptor (ADORA2B) | Target Info | Antagonist | [2], [3] |
| KEGG Pathway | Rap1 signaling pathway | |||
| Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Alcoholism | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2b and Adenosine | |||
| Pathway Interaction Database | C-MYB transcription factor network | |||
| Reactome | Adenosine P1 receptors | |||
| G alpha (s) signalling events | ||||
| Surfactant metabolism | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 449). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 20). | |||
| REF 3 | [3H]MRS 1754, a selective antagonist radioligand for A(2B) adenosine receptors. Biochem Pharmacol. 2001 Mar 15;61(6):657-63. | |||
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