[(2H-1,3-benzodioxol-5-yl)methyl]({5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}methyl)amine
AlkaPlorer ID: AK064335
Synonym: None
IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
Structure
SMILES: CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCC1=CC=C2OCOC2=C1
InChI: InChI=1S/C18H26N2O2/c1-2-14-11-20-6-5-15(14)8-16(20)10-19-9-13-3-4-17-18(7-13)22-12-21-17/h3-4,7,14-16,19H,2,5-6,8-12H2,1H3/t14-,15-,16+/m0/s1
InChIKey: FEBVGUHAUGHODG-HRCADAONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 302.41800000000006
TPSA？: 33.730000000000004
MolLogP？: 2.625300000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -5.9 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 35.21 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 5.495 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 27.78 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -40.5 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -4.919 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | -18.28 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -36.72 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | 0.6777 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -7.29 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 21.75 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.15 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 60.9 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | 60.86 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 9.724 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | 2.3 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -5.522 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 12.87 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | 5.104 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -5.69 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -1.455 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 0.1287 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 1.332 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 4.0 | % | 10.6019/CHEMBL3988442 |