Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0L5JL
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| Former ID |
DIB018702
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| Drug Name |
8-cyclopentyltheophylline
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| Synonyms |
8-Cyclopentyl-1,3-dimethylxanthine; 8-cyclopentyltheophylline; 35873-49-5; 8-Cyclopentyl theophylline; UNII-U7PWT4CPL5; U7PWT4CPL5; 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione; NSC 101806; BRN 1133199; Xanthine, 8-cyclopentyl-1,3-dimethyl-; Theophylline, 8-cyclopentyl-; CHEMBL106265; 8-Cyclopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione; 1,3-dimethyl-8-cyclopentylxanthine; Spectrum_000351; Lopac-C-102; AC1Q6LAU; AC1L1CIO; Spectrum4_000760; Spectrum2_001734; Spectrum5_001769; Spectrum3_000658; NCIOpen2_006919; Lopac0_000391
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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 |
C12H16N4O2
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| Canonical SMILES |
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3
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| InChI |
1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
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| InChIKey |
SCVHFRLUNIOSGI-UHFFFAOYSA-N
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| CAS Number |
CAS 35873-49-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
404613, 7422376, 7422378, 7978472, 8150162, 8151340, 11110875, 11335999, 11361238, 11363245, 11365807, 11368369, 11371615, 11374259, 11376531, 11454377, 11462210, 11485544, 11489550, 11490474, 11492575, 11494165, 14774253, 17404954, 24277730, 26613177, 26679778, 26747498, 26753550, 29221108, 46500409, 47440479, 47589040, 47736529, 47810975, 48110664, 48334539, 50050395, 50106161, 50106162, 53777497, 57321066, 59775498, 78695933, 85085052, 85208930, 85230945, 85789572, 90341471, 92303920
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| ChEBI ID |
CHEBI:109538
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A1 receptor (ADORA1) | Target Info | Antagonist | [2] |
| KEGG Pathway | cGMP-PKG signaling pathway | |||
| cAMP signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Morphine addiction | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| RANKL Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Reactome | Adenosine P1 receptors | |||
| G alpha (i) signalling events | ||||
| 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: 385). | |||
| REF 2 | Thermodynamics of full agonist, partial agonist, and antagonist binding to wild-type and mutant adenosine A1 receptors. Biochem Pharmacol. 1998 Dec 1;56(11):1437-45. | |||
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