Tubacin

Basic Information

CAS ID: 537049-40-4
Molecular Formula: C41H43N3O7S
Molecular Weight: 721.9 g/mol
Monoisotopic Mass: 721.2822 g/mol
Class: Small Molecule
Natural Product: No
Other Names: Tubacin
Analysis: Drug repositioning mechanism analysis

OH S O N O O NH O O NH HO

Compound Structure and Identifier

InChI: 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 See All
InChI Key: BHUZLJOUHMBZQY-YXQOSMAKSA-N
Smiles: OCc1ccc(cc1)[C@@H]2C[C@H](CSc3oc(c4ccccc4)c(n3)c5ccccc5)O[C@@H](O2)c6ccc(NC(=O)CCCCCCC(=O)NO)cc6 See All
Molfile: Download

Related Target

Target ID Name Interaction
T0678 Histone deacetylase 6 inhibitor

Related Fibrosis Property

Reference Record 1

PubMed ID 24434010 Target ID T0678
Uniprot ID Histone deacetylase 6 Name Histone deacetylase 6
Model vitro Fibrosis Disease Liver fibrosis
Process I
Process II cells proliferation
Process III prevenet collagen deposition
Mechanism

Related Link

PubChem: 6675804
ChEMBL: CHEMBL356769