2-methyl-1,2,3,4-tetrahydroisoquinoline
AlkaPlorer ID: AK012832
Synonym: None
IUPAC Name: 2-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: CN1CCC2=CC=CC=C2C1
InChI: InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
InChIKey: KYXSVGVQGFPNRQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 147.22099999999995
TPSA？: 3.24
MolLogP？: 1.6745
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Phenylethanolamine N-methyltransferase | Ki | 19952623149688.83 | nM | 10.1016/s0960-894x(99)00022-0 |
| Homo sapiens | Lysosomal Pro-X carboxypeptidase | IC50 | 30000.0 | nM | 10.1021/jm00126a016 |
| Rattus norvegicus | Adrenergic receptor alpha-2 | Ki | 4168693834703363.5 | nM | 10.1016/s0960-894x(99)00022-0 |
| Rattus norvegicus | Dopamine transporter | DA release | 1.3 | % | 10.1021/jm00170a029 |
| Rattus norvegicus | Dopamine transporter | DA release | 28.0 | % | 10.1021/jm00170a029 |
| Rattus norvegicus | Sigma opioid receptor | IC50 | 2700.0 | nM | 10.1021/jm00126a016 |
| None | ADMET | Inhibition | 82.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | ADMET | Inhibition | 86.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 9.4 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 9.7 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 10.6 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 15.9 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 16.5 | % | 10.1016/j.bmc.2012.11.038 |