4-(2-methoxyethoxy)-2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
AlkaPlorer ID: AK081040
Synonym: None
IUPAC Name: 3-[4-(2-methoxyethoxy)pyridin-2-yl]-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
Structure
SMILES: COCCOC1=CC=NC(C2=NOC([C@@H]3CCCN3C)=N2)=C1
InChI: InChI=1S/C15H20N4O3/c1-19-7-3-4-13(19)15-17-14(18-22-15)12-10-11(5-6-16-12)21-9-8-20-2/h5-6,10,13H,3-4,7-9H2,1-2H3/t13-/m0/s1
InChIKey: FXZSTTZAKOEKHI-ZDUSSCGKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 304.35
TPSA？: 73.51
MolLogP？: 1.9235
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -7.18 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 14.53 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 1.695 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 14.86 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -18.45 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -2.755 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | 2.832 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 9.492 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -8.895 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | -1.745 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 29.8 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 39.51 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -46.2 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.04 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | -47.66 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 3.682 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -7.587 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -58.16 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 8.696 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | -6.49 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -3.64 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -30.44 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -22.33 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -8.28 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -3.404 | % | 10.6019/CHEMBL3988442 |