Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0L7HP
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| Former ID |
DNC011076
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| Drug Name |
NILTUBACIN
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| Synonyms |
NILTUBACIN; Probes1_000174; Probes2_000141; AC1O7Y2N; CHEMBL1213539; SCHEMBL14476139; DIOX-H_003550; 8-[4-[(2R,4R,6S)-4-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]anilino]-8-oxooctanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C41H42N2O7S
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| Canonical SMILES |
C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)O)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
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| InChI |
1S/C41H42N2O7S/c44-26-28-17-19-29(20-18-28)35-25-34(27-51-41-43-38(30-11-5-3-6-12-30)39(50-41)31-13-7-4-8-14-31)48-40(49-35)32-21-23-33(24-22-32)42-36(45)15-9-1-2-10-16-37(46)47/h3-8,11-14,17-24,34-35,40,44H,1-2,9-10,15-16,25-27H2,(H,42,45)(H,46,47)/t34-,35+,40+/m1/s1
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| InChIKey |
WLLKRNCIQXOQHG-YXQOSMAKSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histone deacetylase 6 (HDAC6) | Target Info | Inhibitor | [1] |
| Histone deacetylase 8 (HDAC8) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Alcoholism | |||
| Viral carcinogenesis | ||||
| Panther Pathway | Wnt signaling pathway | |||
| 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 | ||||
| HDACs deacetylate histones | ||||
| WikiPathways | Ectoderm Differentiation | |||
| Neural Crest Differentiation | ||||
| Cell Cycle | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Chemical phylogenetics of histone deacetylases. Nat Chem Biol. 2010 Mar;6(3):238-243. | |||
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