Drug Details
| General Information of the Drug (ID: DR9353) | ||||
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| Name |
BMS-228987
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| Synonyms |
SCHEMBL6816325; BMS-228987
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| Molecular Type |
Small molecule
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| Disease | Breast cancer [ICD-11: 2C60] | 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 |
C27H30O2
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| PubChem CID | ||||
| Canonical SMILES |
CC1(CC=C(C2=C1C=CC(=C2)C=CC3=CC=C(C=C3)C(=O)O)C=CC(C)(C)C)C
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| InChI |
1S/C27H30O2/c1-26(2,3)16-14-21-15-17-27(4,5)24-13-10-20(18-23(21)24)7-6-19-8-11-22(12-9-19)25(28)29/h6-16,18H,17H2,1-5H3,(H,28,29)/b7-6+,16-14+
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| InChIKey |
JCIUGJPHCGNCKU-DBSWOVOKSA-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 | ||||||
| Paclitaxel | Taxus brevifolia | 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 | [1] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | BCL-2 | Molecule Info |
Pathway MAP
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| Up-regulation | Activity | JNK1 | Molecule Info |
Pathway MAP
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| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Alpha/beta selective retinoids dramatically lowered the effective dose of Taxol needed to induce cytotoxicity of a wide range of tumor cell lines. Examination of pathways common to Taxol and retinoid signaling revealed that this synergy was related in part to effects on Bcl-2 expression/phosphorylation as well as the activity of the c-Jun NH(2)-terminal kinase and activator protein-1. | |||||
| Target and Pathway | ||||
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| Target(s) | Aromatase (CYP19A1) | Molecule Info | [2] | |
| BioCyc | Superpathway of steroid hormone biosynthesis | Click to Show/Hide | ||
| 2 | Estradiol biosynthesis II | |||
| 3 | Estradiol biosynthesis I | |||
| KEGG Pathway | Steroid hormone biosynthesis | Click to Show/Hide | ||
| 2 | Metabolic pathways | |||
| 3 | Ovarian steroidogenesis | |||
| NetPath Pathway | FSH Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | Click to Show/Hide | ||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | Click to Show/Hide | ||
| Reactome | Endogenous sterols | Click to Show/Hide | ||
| WikiPathways | Metapathway biotransformation | Click to Show/Hide | ||
| 2 | Tryptophan metabolism | |||
| 3 | Oxidation by Cytochrome P450 | |||
| 4 | Ovarian Infertility Genes | |||
| 5 | Metabolism of steroid hormones and vitamin D | |||
| 6 | FSH signaling pathway | |||
| 7 | Integrated Breast Cancer Pathway | |||
| 8 | Phase 1 - Functionalization of compounds | |||
