Bindarit
AlkaPlorer ID: AK096850
Synonym: None
IUPAC Name: 2-[(1-benzylindazol-3-yl)methoxy]-2-methylpropanoic acid
Structure
SMILES: CC(C)(OCC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12)C(=O)O
InChI: InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)
InChIKey: MTHORRSSURHQPZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 324.3800000000001
TPSA？: 64.35000000000001
MolLogP？: 3.4644000000000013
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 6 | Inhibition | -6.46 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 9.13 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Monocarboxylate transporter 4 | Ki | 30200.0 | nM | 10.1016/j.ejmech.2020.112393 |
| Homo sapiens | Monocarboxylate transporter 4 | Km | 2800000.0 | nM | 10.1016/j.ejmech.2020.112393 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.379 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.01 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.35 | % | 10.21203/rs.3.rs-23951/v1 |
| None | NON-PROTEIN TARGET | Potency | 13.3 | nM | None |