1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline; (±)-form
AlkaPlorer ID: AK315288
Synonym: None
IUPAC Name: 6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C(C)NCC2
InChI: InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3
InChIKey: HMYJLVDKPJHJCF-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 207.273
TPSA？: 30.49
MolLogP？: 1.9105
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone deacetylase 6 | Inhibition | -8.98 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 14.89 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 13335.9 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 5.024 | % | 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 | -0.04 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 10.11 | % | 10.21203/rs.3.rs-23951/v1 |
| None | ADMET | TC50 | 2.73 | mM | 10.1016/s0960-894x(03)00583-3 |
| None | Unchecked | Potency | 19952.6 | nM | None |