2-methoxy-N-{5-[5-(pyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-yl}acetamide
AlkaPlorer ID: AK077582
Synonym: None
IUPAC Name: 2-methoxy-N-[5-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridin-2-yl]acetamide
Structure
SMILES: COCC(=O)NC1=CC=C(C2=NOC([C@@H]3CCCN3)=N2)C=N1
InChI: InChI=1S/C14H17N5O3/c1-21-8-12(20)17-11-5-4-9(7-16-11)13-18-14(22-19-13)10-3-2-6-15-10/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17,20)/t10-/m0/s1
InChIKey: QTUSKWCUOGBPHY-JTQLQIEISA-N
Reference
PubChem CID: 45783649
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 303.32199999999995
TPSA？: 102.17
MolLogP？: 1.1409999999999998
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -1.16 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | -3.723 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 7.143 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 16.67 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | 3.721 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | 6.021 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 6.998 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | -3.84 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -49.2 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 12.83 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.16 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 52.6 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 2.116 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -20.9 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -73.29 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 4.95 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | 10.12 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -0.3482 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -37.58 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -11.32 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -6.718 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -6.123 | % | 10.6019/CHEMBL3988442 |