2-methoxy-N-{5-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}acetamide
AlkaPlorer ID: AK078443
Synonym: None
IUPAC Name: 2-methoxy-N-[5-[5-[(2S)-1-methylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]acetamide
Structure
SMILES: COCC(=O)NC1=CC=C(C2=NOC([C@@H]3CCCN3C)=N2)C=N1
InChI: InChI=1S/C15H19N5O3/c1-20-7-3-4-11(20)15-18-14(19-23-15)10-5-6-12(16-8-10)17-13(21)9-22-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17,21)/t11-/m0/s1
InChIKey: VNMFMQOWUCLROS-NSHDSACASA-N
Reference
PubChem CID: 45783630
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 317.349
TPSA？: 93.38
MolLogP？: 1.4832
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | 6.65 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 10.42 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 8.791 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 11.11 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -4.553 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -2.629 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 11.51 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -29.27 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | -1.13 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -37.14 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -1.12 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -28.7 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.12 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 3.119 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -17.98 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -85.54 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | -4.95 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | -1.727 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -7.789 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -22.87 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -3.198 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 7.716 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 9.961 | % | 10.6019/CHEMBL3988442 |