Drug Details
| General Information of the Drug (ID: DR6644) | ||||
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| Name |
6-benzylthioinosine
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| Synonyms |
6-Benzylthioinosine; CHEMBL60662; (2R,3R,4S,5R)-2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; SCHEMBL7617372; BDBM50240561; ZINC13560348; Purine, 6-benzylthio-9-beta-D-ribofuranosyl-; (2R,3R,4S,5R)-2-(6-Benzylsulfanyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol; (2R,3R,4S,5R)-2-(6-benzylsulfanylpurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; (2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol; (2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
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| Molecular Type |
Small molecule
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| Disease | Acute myeloid leukemia [ICD-11: 2A60] | Investigative | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C17H18N4O4S
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| PubChem CID | ||||
| Canonical SMILES |
C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O
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| InChI |
1S/C17H18N4O4S/c22-6-11-13(23)14(24)17(25-11)21-9-20-12-15(21)18-8-19-16(12)26-7-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,22-24H,6-7H2/t11-,13-,14-,17-/m1/s1
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| InChIKey |
OMJRXFOHHLLDFR-LSCFUAHRSA-N
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| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Metformin | Galega officinalis | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Up-regulation | Expression | TP53 | Molecule Info |
Pathway MAP
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| In-vitro Model | MV4-11 | CVCL_0064 | Childhood acute monocytic leukemia | Homo sapiens | ||
| MOLM-14 | CVCL_7916 | Adult acute myeloid leukemia | Homo sapiens | |||
| OCI-AML-3 | CVCL_1844 | Adult acute myeloid leukemia | Homo sapiens | |||
| NOMO-1 | CVCL_1609 | Adult acute monocytic leukemia | Homo sapiens | |||
| THP-1 | CVCL_0006 | Childhood acute monocytic leukemia | Homo sapiens | |||
| HL-60 | CVCL_0002 | Adult acute myeloid leukemia | Homo sapiens | |||
| Experimental
Result(s) |
The combination of 6-BT with metformin resulted in significant cytotoxicity (60-70%) in monocytic AML cell lines and was associated with inhibition of FLT3-ITD activated STAT5 and reduced c-Myc and GLUT-1 expression. | |||||
| Target and Pathway | ||||
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| Target(s) | Estrogen receptor (ESR) | Molecule Info | [3] | |
| KEGG Pathway | Estrogen signaling pathway | Click to Show/Hide | ||
| 2 | Prolactin signaling pathway | |||
| 3 | Thyroid hormone signaling pathway | |||
| 4 | Endocrine and other factor-regulated calcium reabsorption | |||
| 5 | Proteoglycans in cancer | |||
| NetPath Pathway | FSH Signaling Pathway | Click to Show/Hide | ||
| 2 | EGFR1 Signaling Pathway | |||
| 3 | RANKL Signaling Pathway | |||
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | Click to Show/Hide | ||
| 2 | Signaling events mediated by HDAC Class II | |||
| 3 | Plasma membrane estrogen receptor signaling | |||
| 4 | LKB1 signaling events | |||
| 5 | Regulation of Telomerase | |||
| 6 | ATF-2 transcription factor network | |||
| 7 | AP-1 transcription factor network | |||
| 8 | FOXM1 transcription factor network | |||
| 9 | Validated nuclear estrogen receptor alpha network | |||
| 10 | Signaling mediated by p38-alpha and p38-beta | |||
| 11 | FOXA1 transcription factor network | |||
| Reactome | Nuclear signaling by ERBB4 | Click to Show/Hide | ||
| 2 | Nuclear Receptor transcription pathway | |||
| WikiPathways | Estrogen signaling pathway | Click to Show/Hide | ||
| 2 | Nuclear Receptors Meta-Pathway | |||
| 3 | Estrogen Receptor Pathway | |||
| 4 | Signaling by ERBB4 | |||
| 5 | JAK/STAT | |||
| 6 | Integrated Pancreatic Cancer Pathway | |||
| 7 | Leptin signaling pathway | |||
| 8 | miR-targeted genes in muscle cell - TarBase | |||
| 9 | Integrated Breast Cancer Pathway | |||
| 10 | Nuclear Receptors | |||
