3-(4-fluorophenyl)-4-{1-[(pyrazin-2-yl)formamido]ethyl}-1,2-oxazole-5-carboxylic acid
AlkaPlorer ID: AK095405
Synonym: None
IUPAC Name: 3-(4-fluorophenyl)-4-[(1R)-1-(pyrazine-2-carbonylamino)ethyl]-1,2-oxazole-5-carboxylic acid
Structure
SMILES: C[C@@H](NC(=O)C1=CN=CC=N1)C1=C(C(=O)O)ON=C1C1=CC=C(F)C=C1
InChI: InChI=1S/C17H13FN4O4/c1-9(21-16(23)12-8-19-6-7-20-12)13-14(22-26-15(13)17(24)25)10-2-4-11(18)5-3-10/h2-9H,1H3,(H,21,23)(H,24,25)/t9-/m1/s1
InChIKey: WWPTWUFQFLVXKR-SECBINFHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 356.31300000000005
TPSA？: 118.21
MolLogP？: 2.4599
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | 1.02 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 26.26 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 14.29 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 22.22 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -37.14 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -0.7234 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 9.707 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -32.17 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | -3.389 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 26.0 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 34.79 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.14 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 45.5 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 6.47 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -28.03 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -111.06 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 3.96 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | 0.3029 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -1.479 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -33.02 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 1.21 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 4.616 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 5.647 | % | 10.6019/CHEMBL3988442 |