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Drug Details

General Information of the Drug (ID: DR0409)
Name
DNMT Inhibitor
Synonyms
Guadecitabine 929901-49-5 SGI-110 SGI-110 free acid 2KT4YN1DP7
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Molecular Type
Small molecule
Disease Bladder cancer [ICD-11: 2C94] Investigative
Structure
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2D MOL

3D MOL

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Formula
C18H24N9O10P
PubChem CID
135564655
Canonical SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC(=NC5=O)N)O
InChI
InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1
InChIKey
GUWXKKAWLCENJA-WGWHJZDNSA-N
CAS Number
929901-49-5
ChEBI ID
CHEBI:231603
DrugBank ID
DB11918
Target and Pathway
Target(s) Forkhead box protein O1A (FOXO1)  Molecule Info 
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  (suilab@hznu.edu.cn)

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