Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03XCR
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| Former ID |
DIB005909
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| Drug Name |
Simotaxel
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| Synonyms |
MST-997; TL-909
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C76-C80; ICD-9: 140-229] | Phase 1 | [1] | |
| Company |
Taxolog Inc
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| Structure |
 |
Download2D MOL
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| Formula |
C46H57NO15S
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| Canonical SMILES |
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CS5)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7
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| InChI |
1S/C46H57NO15S/c1-23(2)58-42(55)47-33(29-18-13-19-63-29)34(50)41(54)59-28-21-46(56)38(61-40(53)27-14-9-8-10-15-27)36-44(7,30(49)20-31-45(36,22-57-31)62-25(4)48)37(51)35(32(24(28)3)43(46,5)6)60-39(52)26-16-11-12-17-26/h8-10,13-15,18-19,23,26,28,30-31,33-36,38,49-50,56H,11-12,16-17,20-22H2,1-7H3,(H,47,55)/t28-,30-,31+,33-,34+,35+,36-,38-,44+,45-,46+/m0/s1
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| InChIKey |
SLGIWUWTSWJBQE-VLCCYYTCSA-N
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| CAS Number |
CAS 791635-59-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Tubulin beta (TUBB) | Target Info | Inhibitor | [2] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00277836) Study Evaluating MST-997 in Advanced Malignant Solid Tumors. U.S. National Institutes of Health. | |||
| REF 2 | URL: 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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