Drug Information

Drug General Information
Drug ID
D03XCR
Former ID
DIB005909
Drug Name
Simotaxel
Synonyms
MST-997; TL-909
Drug Type
Small molecular drug
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Phase 1 [521789]
Company
Taxolog Inc
Structure
Download
2D MOL

3D MOL
Formula
C46H57NO15S
Canonical SMILES
[C@@H]1(OC(=O)C2CCCC2)C2=C([C@H](C[C@](C2(C)C)([C@H]([C<br />@H]2[C@](C1=O)([C@H](C[C@@H]1[C@]2(CO1)OC(=O)C)O)C)OC(=<br />O)c1ccccc1)O)OC(=O)[C@@H]([C@@H](NC(=O)OC(C)C)c1sccc1)O<br />)C
CAS Number
CAS 791635-59-1
PubChem Compound ID
45114565
Target and Pathway
Target(s) Tubulin beta Target Info Inhibitor [543674]
KEGG Pathway Phagosome
Gap junction
Pathogenic Escherichia coli infection
NetPath Pathway FSH Signaling Pathway
TCR Signaling Pathway
EGFR1 Signaling Pathway
PANTHER Pathway Cytoskeletal regulation by Rho GTPase
Huntington disease
Reactome Regulation of PLK1 Activity at G2/M Transition
Loss of Nlp from mitotic centrosomes
Recruitment of mitotic centrosome proteins and complexes
Loss of proteins required for interphase microtubule organization?from the centrosome
Anchoring of the basal body to the plasma membrane
WikiPathways Parkin-Ubiquitin Proteasomal System pathway
Pathogenic Escherichia coli infection
Mitotic G2-G2/M phases
References
Ref 521789ClinicalTrials.gov (NCT00277836) Study Evaluating MST-997 in Advanced Malignant Solid Tumors. U.S. National Institutes of Health.
Ref 543674(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. (Target id: 2640).

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