Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04DVT
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| Former ID |
DIB021230
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| Drug Name |
XCC
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| Synonyms |
QTMMGCYGCFXBFI-UHFFFAOYSA-N; CHEMBL27041; [4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acid; 2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid; PDSP1_000315; AC1Q5WRT; AC1L2PQ2; GTPL451; SCHEMBL7235224; CTK8E0623; MolPort-023-277-106; ZINC5114736; PDSP2_000313; PDSP2_001238; PDSP1_001254; BDBM50008405; AKOS024458041; NCGC00370927-01; L000656; 1,3-dipropyl-8-(4-carboxymethyloxy)phenylxanthine; 8-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C19H22N4O5
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| Canonical SMILES |
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)O
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| InChI |
1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
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| InChIKey |
QTMMGCYGCFXBFI-UHFFFAOYSA-N
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| CAS Number |
CAS 96865-83-7
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2b receptor (ADORA2B) | Target Info | Antagonist | [2] |
| 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: 451). | |||
| REF 2 | [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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