Adrenalone
AlkaPlorer ID: AK008111
Synonym: None
IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone
Structure
SMILES: CNCC(=O)C1=CC(=C(C=C1)O)O
InChI: InChI=1S/C9H11NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,10-12H,5H2,1H3
InChIKey: PZMVOUYYNKPMSI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Beauveria sp. | Beauveria | Cordycipitaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 181.191
TPSA？: 69.56
MolLogP？: 0.49990000000000007
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | D-amino-acid oxidase | IC50 | 1000000.0 | nM | 10.1021/jm3017865 |
| Homo sapiens | D-aspartate oxidase | IC50 | nan | None | 10.1021/jm3017865 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -10.78 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 5.92 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Low molecular weight phosphotyrosine protein phosphatase | IC50 | 80000.0 | nM | None |
| Homo sapiens | Mu opioid receptor | EC50 | 92352.0 | nM | None |
| Homo sapiens | Serine racemase | IC50 | nan | None | 10.1021/jm3017865 |
| Mus musculus | Serotonin 2a (5-HT2a) receptor | EC50 | 4040.0 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 12.57 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -3.01 | % | 10.21203/rs.3.rs-23951/v1 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.08 | % | 10.6019/CHEMBL4495565 |
| None | Unchecked | Ac50 | 0.631 | uM | None |
| None | Unchecked | AC50 | 631.0 | nM | None |
| None | Unchecked | Potency | 15848.9 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |