4-{[({5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}methyl)amino]methyl}-N,N-dimethylaniline
AlkaPlorer ID: AK053134
Synonym: None
IUPAC Name: 4-[[[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]-N,N-dimethylaniline
Structure
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCC1=CC=C(N(C)C)C=C1
InChI: InChI=1S/C19H31N3/c1-4-16-14-22-10-9-17(16)11-19(22)13-20-12-15-5-7-18(8-6-15)21(2)3/h5-8,16-17,19-20H,4,9-14H2,1-3H3/t16-,17-,19+/m0/s1
InChIKey: LRBSKRXXNDZCPJ-JENIJYKNSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 301.47800000000007
TPSA？: 18.51
MolLogP？: 2.962600000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -5.66 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 7.07 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 7.143 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 22.22 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | 1.41 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | 9.816 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | -15.12 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -7.021 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | 0.8283 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 24.3 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 26.19 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.12 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 62.8 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | 62.75 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | -0.5259 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | 4.748 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -52.52 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 11.88 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | 11.9 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | 26.36 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -20.98 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -13.95 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -2.806 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -1.692 | % | 10.6019/CHEMBL3988442 |