Molokaiamine; N2',N2',N3'',N3''-Tetra-Me
AlkaPlorer ID: AK022567
Synonym: Aplysamine 1
IUPAC Name: 3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
Structure
SMILES: CN(C)CCCOC1=C(Br)C=C(CCN(C)C)C=C1Br
InChI: InChI=1S/C15H24Br2N2O/c1-18(2)7-5-9-20-15-13(16)10-12(11-14(15)17)6-8-19(3)4/h10-11H,5-9H2,1-4H3
InChIKey: LWENJEAGCYZOBC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 408.17800000000005
TPSA？: 15.71
MolLogP？: 3.646200000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Histamine H3 receptor | IC50 | 500.0 | nM | 10.1021/jm8003625 |
| Homo sapiens | CCF-STTG1 | FC | 2.0 | None | 10.1021/np500119e |
| Homo sapiens | Histamine H3 receptor | Ki | 30.0 | nM | 10.1016/j.bmc.2019.05.042 |
| Homo sapiens | Histamine H3 receptor | Ki | 30.0 | nM | 10.1016/j.bmcl.2005.11.003 |
| Homo sapiens | Histamine H3 receptor | Ki | 30.0 | nM | 10.1016/j.ejmech.2009.06.007 |
| Homo sapiens | Histamine H3 receptor | pA2 | nan | None | 10.1016/j.ejmech.2009.06.007 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | nan | % | 10.1021/np300147d |
| Rattus norvegicus | Histamine H3 receptor | Ki | 249.0 | nM | 10.1016/j.bmcl.2005.11.003 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | nan | % | 10.1021/np300147d |