Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X0IY
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| Former ID |
DCL000965
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| Drug Name |
Rolofylline
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| Synonyms |
KW 3902; HMR-4902; KW-3902; MK-7418; Rolofylline (USAN); 1,3-Dipropyl-8-(3-noradamantyl)xanthine; 1,3-Dnax; 8-(3-Noradamantyl)-1,3-dipropylxanthine; 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione; 8-(Noradamantan-3-yl)-1,3-dipropylxanthine; 8-(hexahydro-2,5-methanopentalen-3a(1h)-yl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione
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| Drug Type |
Small molecular drug
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| Indication | Heart failure [ICD-11: BD10-BD13; ICD-10: I50, I50.9; ICD-9: 428] | Phase 3 | [1], [2] | |
| Company |
Merck
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| Structure |
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Download2D MOL |
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| Formula |
C20H28N4O2
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| Canonical SMILES |
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5
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| InChI |
1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
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| InChIKey |
PJBFVWGQFLYWCB-UHFFFAOYSA-N
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| CAS Number |
CAS 136199-02-5
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| PubChem Compound ID | ||||
| PubChem Substance ID |
8189215, 12014585, 14828063, 43121521, 50027933, 57315094, 75918570, 85210038, 96025672, 103234175, 103917051, 104331610, 117600080, 125823156, 128923271, 134224383, 134339133, 134339318, 134339401, 135022015, 137124824, 139358810, 160676374, 175426983, 178102238, 179149860, 227009357, 238445391, 241033164, 241376845, 249618094, 252157840, 252160290
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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: 5604). | |||
| REF 2 | Association between the PDE4D gene and ischaemic stroke in the Chinese Han population. Clin Sci (Lond). 2009 Aug 17;117(7):265-72. | |||
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