Drug General Information
Drug ID
D0L7HP
Former ID
DNC011076
Drug Name
NILTUBACIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530700]
Structure
Download
2D MOL

3D MOL

Formula
C41H42N2O7S
Canonical SMILES
C1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O<br />)O)CSC4=NC(=C(O4)C5=CC=CC=C5)C6=CC=CC=C6
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
InChIKey
WLLKRNCIQXOQHG-YXQOSMAKSA-N
PubChem Compound ID
Target and Pathway
Target(s) Histone deacetylase 6 Target Info Inhibitor [530700]
Histone Deacetylase 8 Target Info Inhibitor [530700]
KEGG Pathway Alcoholism
Viral carcinogenesishsa05034:Alcoholism
Viral carcinogenesis
PANTHER Pathway Wnt signaling pathway
Pathway Interaction Database Signaling events mediated by HDAC Class II
Signaling events mediated by HDAC Class Ihdac_classi_pathway: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 ciliumR-HSA-2122947:NOTCH1 Intracellular Domain Regulates Transcription
HDACs deacetylate histones
WikiPathways Ectoderm Differentiation
Neural Crest Differentiation
Cell CycleWP2377:Integrated Pancreatic Cancer Pathway
Cell Cycle
References
Ref 530700Nat Chem Biol. 2010 Mar;6(3):238-243. Epub 2010 Feb 7.Chemical phylogenetics of histone deacetylases.
Ref 530700Nat Chem Biol. 2010 Mar;6(3):238-243. Epub 2010 Feb 7.Chemical phylogenetics of histone deacetylases.

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