None
AlkaPlorer ID: AK322797
Synonym: None
IUPAC Name: 3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1-benzofuran-6-sulfonamide
Structure
SMILES: CCC1=C(C(=O)C2=CC(Br)=C(O)C(Br)=C2)C2=CC=C(S(=O)(=O)NC3=CC=C(S(=O)(=O)NC4=NC=CS4)C=C3)C=C2O1
InChI: InChI=1S/C26H19Br2N3O7S3/c1-2-21-23(24(32)14-11-19(27)25(33)20(28)12-14)18-8-7-17(13-22(18)38-21)41(36,37)30-15-3-5-16(6-4-15)40(34,35)31-26-29-9-10-39-26/h3-13,30,33H,2H2,1H3,(H,29,31)
InChIKey: SXKBTDJJEQQEGE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Syzygium cumini | Syzygium | Myrtaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 741.4610000000001
TPSA？: 155.66999999999996
MolLogP？: 6.514900000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 2000.0 | nM | 10.1021/acs.jnatprod.6b01073 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 6810.0 | nM | 10.1021/np4009078 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 8000.0 | nM | 10.1016/j.bmc.2011.02.047 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 8000.0 | nM | 10.1016/j.bmc.2021.116295 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 8000.0 | nM | 10.1016/j.bmcl.2013.02.073 |
| Homo sapiens | Protein-tyrosine phosphatase 1B | IC50 | 8000.0 | nM | 10.1021/acs.jmedchem.0c00249 |
| Homo sapiens | Protein-tyrosine phosphatase 2C | IC50 | 3100.0 | nM | 10.1021/acs.jmedchem.0c01265 |
| Homo sapiens | RuvB-like 1 | IC50 | 15000.0 | nM | 10.1016/j.bmc.2022.116726 |