4-({3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(propan-2-yl)cyclohex-2-en-1-yl}methyl)morpholine
AlkaPlorer ID: AK080077
Synonym: None
IUPAC Name: 4-[[(1S,4S,6S)-3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine
Structure
SMILES: CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1CC1=NN=C(C)O1
InChI: InChI=1S/C19H31N3O2/c1-13(2)18-10-16(11-19-21-20-15(4)24-19)14(3)9-17(18)12-22-5-7-23-8-6-22/h9,13,16-18H,5-8,10-12H2,1-4H3/t16-,17-,18-/m0/s1
InChIKey: NGJAWEFYHVZSSI-BZSNNMDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 333.47600000000006
TPSA？: 51.39
MolLogP？: 3.1073200000000014
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | -5.07 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | 18.82 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 1.504 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 5.405 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -14.33 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | 5.133 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -8.945 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 16.31 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -27.94 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | -2.365 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | -1.12 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 9.53 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -53.5 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.14 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | -1.337 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | 60.87 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -92.69 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | -1.493 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | -6.193 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | -5.395 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -2.167 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 1.066 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 1.746 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 15.93 | % | 10.6019/CHEMBL3988442 |