Aftobetin
AlkaPlorer ID: AK000052
Synonym: None
IUPAC Name: 2-[2-(2-methoxyethoxy)ethoxy]ethyl (E)-2-cyano-3-(6-piperidin-1-ylnaphthalen-2-yl)prop-2-enoate
Structure
SMILES: COCCOCCOCCOC(=O)/C(=C/C1=CC2=C(C=C1)C=C(C=C2)N3CCCCC3)/C#N
InChI: InChI=1S/C26H32N2O5/c1-30-11-12-31-13-14-32-15-16-33-26(29)24(20-27)18-21-5-6-23-19-25(8-7-22(23)17-21)28-9-3-2-4-10-28/h5-8,17-19H,2-4,9-16H2,1H3/b24-18+
InChIKey: NRZNTGUFHSJBTD-HKOYGPOVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Murraya koenigii | Murraya | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Escherichia coli | Escherichia | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | Pseudomonadati | Bacteria |
Properties Information
Molecule Weight: 452.5510000000003
TPSA？: 81.02000000000001
MolLogP？: 3.9598800000000027
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Amyloid-beta A4 protein | Kd | 1400.0 | nM | 10.1021/acs.jmedchem.1c01619 |