5-{1-[(tert-butylcarbamoyl)amino]ethyl}-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
AlkaPlorer ID: AK094515
Synonym: None
IUPAC Name: 5-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
Structure
SMILES: COC1=CC=C(C2=NOC([C@@H](C)NC(=O)NC(C)(C)C)=C2C(=O)O)C=C1
InChI: InChI=1S/C18H23N3O5/c1-10(19-17(24)20-18(2,3)4)15-13(16(22)23)14(21-26-15)11-6-8-12(25-5)9-7-11/h6-10H,1-5H3,(H,22,23)(H2,19,20,24)/t10-/m1/s1
InChIKey: VRABVHDYXWTUJL-SNVBAGLBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 361.39800000000014
TPSA？: 113.69
MolLogP？: 3.2071000000000014
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -1.63 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 10.87 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 3.051 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 12.16 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -10.3 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -2.687 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -6.957 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | -3.753 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | 3.353 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | 0.9863 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -23.1 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 40.84 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -48.5 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.14 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | -48.65 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | 2.043 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -4.112 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -107.68 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 3.261 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | -18.05 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -10.43 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -27.27 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -17.12 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -10.66 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -5.442 | % | 10.6019/CHEMBL3988442 |