Atenolol
AlkaPlorer ID: AK026872
Synonym: None
IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Structure
SMILES: CC(C)NC[C@@H](O)COC1=CC=C(CC(=N)O)C=C1
InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m1/s1
InChIKey: METKIMKYRPQLGS-GFCCVEGCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Asarum heterotropoides | Asarum | Asaraceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Asarum sieboldii | Asarum | Asaraceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 266.341
TPSA？: 85.57000000000001
MolLogP？: 1.5020699999999996
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 112201.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 44668.4 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 28183.8 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 27.87 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.16 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 25.84 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition index | 0.05219 | None | 10.1101/2020.04.03.023846 |
| None | Unchecked | Ac50 | 1.122 | uM | None |
| None | Unchecked | Ac50 | 2.818 | uM | None |
| None | Unchecked | Ac50 | 10.0 | uM | None |
| None | Unchecked | Ac50 | 14.13 | uM | None |
| None | Unchecked | AC50 | 1130.0 | nM | None |
| None | Unchecked | AC50 | 2818.4 | nM | None |
| None | Unchecked | AC50 | 10000.0 | nM | None |
| None | Unchecked | AC50 | 14125.4 | nM | None |
| None | Unchecked | Inhibition | nan | % | 10.1038/nchembio873 |
| None | Unchecked | Potency | 354.8 | nM | None |
| None | Unchecked | Potency | 1636.0 | nM | None |
| None | Unchecked | Potency | 3162.3 | nM | None |
| None | Unchecked | Potency | 29092.9 | nM | None |