Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D04KQF
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| Former ID |
DNC001476
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| Drug Name |
Tubacin
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| Synonyms |
Tubacin; 537049-40-4; AC1O7Y2P; CHEMBL356769; 1350555-93-9; N1-(4-((2R,4R,6S)-4-(((4,5-Diphenyloxazol-2-yl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1,3-dioxan-2-yl)phenyl)-N8-hydroxyoctanediamide; Tubacin (BML-GR362); Octanediamide, N1-(4-((2R,4R,6S)-4-(((4,5-diphenyl-2-oxazolyl)thio)methyl)-6-(4-(hydroxymethyl)phenyl)-1,3-dioxan-2-yl)phenyl)-N8-hydroxy-, rel-; N-[4-[(2R,4R,6S)-4-[[(4,5-Diphenyl-2-oxazolyl)thio]methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]-N'-hydroxyoctanediamide; SCHEMBL4741166
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| Drug Type |
Small molecular drug
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| Indication | Multiple myeloma [ICD-11: 2A83; ICD-10: C90.0] | Investigative | [1] | |
| Company |
Broad Institute
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| Structure |
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Download2D MOL |
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| Formula |
C41H43N3O7S
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| Canonical SMILES |
C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
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| InChI |
1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1
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| InChIKey |
BHUZLJOUHMBZQY-YXQOSMAKSA-N
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| CAS Number |
CAS 537049-40-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:94166
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histone deacetylase 6 (HDAC6) | Target Info | Inhibitor | [2], [3] |
| KEGG Pathway | Alcoholism | |||
| Viral carcinogenesis | ||||
| Pathway Interaction Database | Signaling events mediated by HDAC Class II | |||
| Signaling events mediated by HDAC Class I | ||||
| Reactome | NOTCH1 Intracellular Domain Regulates Transcription | |||
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | ||||
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | ||||
| Assembly of the primary cilium | ||||
| WikiPathways | Ectoderm Differentiation | |||
| Neural Crest Differentiation | ||||
| Cell Cycle | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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. (Ligand id: 7374). | |||
| REF 2 | Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127. | |||
| REF 3 | Anticancer activities of histone deacetylase inhibitors. Nat Rev Drug Discov. 2006 Sep;5(9):769-84. | |||
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