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Drug Details

General Information of the Drug (ID: DR9185)
Name
Pyrrolo-1,5-benzoxazepine
Synonyms
SCHEMBL5185374; 2H-pyrrolo[2,3-i][1,5]benzoxazepine
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Molecular Type
Small molecule
Disease Colorectal cancer [ICD-11: 2B91] Investigative [1]
Structure
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2D MOL

3D MOL

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Formula
C11H8N2O
PubChem CID
69345756
Canonical SMILES
C1C=CN=C2C=CC3=NC=CC3=C2O1
InChI
1S/C11H8N2O/c1-5-12-10-3-2-9-8(4-6-13-9)11(10)14-7-1/h1-6H,7H2
InChIKey
UNHWZPWLXOALOM-UHFFFAOYSA-N
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Flavopiridol      Dysoxylum binectariferum     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
                    Molecule(s)
                    Regulation
Down-regulation Expression BIRC5  Molecule Info 
Pathway MAP
Down-regulation Expression CCNB1  Molecule Info 
Pathway MAP
Down-regulation Expression CDK1  Molecule Info 
Pathway MAP
                    Biological
                    Regulation
Acceleration Exit from G2/M transition
                    In-vitro Model K-562 CVCL_0004 Chronic myelogenous leukemia Homo sapiens
LAMA-84 CVCL_0388 Chronic myelogenous leukemia Homo sapiens
Ba/F3 CVCL_0161 Healthy Mus musculus
                    Experimental
                    Result(s)
Sequential treatment with flavopiridol synergistically enhances pyrrolo-1,5-benzoxazepine-induced apoptosis in human chronic myeloid leukaemia cells.
References
Reference 1 Antitumor effect of pyrrolo-1,5-benzoxazepine-15 and its synergistic effect with Oxaliplatin and 5-FU in colorectal cancer cells. Cancer Biol Ther. 2016 Aug 2;17(8):849-58.
Reference 2 Sequential treatment with flavopiridol synergistically enhances pyrrolo-1,5-benzoxazepine-induced apoptosis in human chronic myeloid leukaemia cells including those resistant to imatinib treatment. Biochem Pharmacol. 2010 Jul 1;80(1):31-8.
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Cite NPCDR
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China