6-fluoro-2-[1-(oxan-4-yl)pyrrolidin-3-yl]-1H-1,3-benzodiazole
AlkaPlorer ID: AK078263
Synonym: None
IUPAC Name: 6-fluoro-2-[(3S)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
Structure
SMILES: FC1=CC=C2N=C([C@H]3CCN(C4CCOCC4)C3)NC2=C1
InChI: InChI=1S/C16H20FN3O/c17-12-1-2-14-15(9-12)19-16(18-14)11-3-6-20(10-11)13-4-7-21-8-5-13/h1-2,9,11,13H,3-8,10H2,(H,18,19)/t11-/m0/s1
InChIKey: SQWKLZZHARQSDU-NSHDSACASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 289.3539999999999
TPSA？: 41.150000000000006
MolLogP？: 2.6703
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | INHIBITION | 1.9 | % | 10.1021/acsinfecdis.9b00482 |
| Leishmania donovani | Leishmania donovani | Percent Effect | -2.083 | % | 10.6019/CHEMBL3988442 |
| Leishmania donovani (strain BPK282A1) | Methionyl-tRNA synthetase, putative | Inhibition | 3.297 | % | 10.6019/CHEMBL3988442 |
| Leishmania infantum | Histidine--tRNA ligase | Percent Effect | 22.22 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | Percent Effect | -36.25 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | ClpP1P2 | Percent Effect | -4.649 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Coenzyme A biosynthesis bifunctional protein CoaBC | Percent Effect | 5.192 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Polyketide synthase Pks13 | Percent Effect | -2.592 | % | 10.6019/CHEMBL3988442 |
| Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Tryptophan--tRNA ligase | Percent Effect | 9.864 | % | 10.6019/CHEMBL3988442 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 23.53 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium berghei | Plasmodium berghei | INHIBITION | 31.2 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | -100.0 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | INHIBITION | 1.05 | % | 10.1021/acsinfecdis.9b00482 |
| Plasmodium falciparum | Plasmodium falciparum | Percent Effect | -102.28 | % | 10.6019/CHEMBL3988442 |
| Plasmodium falciparum (isolate 3D7) | Lysine--tRNA ligase | Percent Effect | -1.822 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma brucei | Trypanosoma brucei | Percent Effect | -32.62 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi | Trypanosoma cruzi | Percent Effect | -62.35 | % | 10.6019/CHEMBL3988442 |
| Trypanosoma cruzi (strain CL Brener) | Histidine--tRNA ligase | Percent Effect | 7.921 | % | 10.6019/CHEMBL3988442 |
| Wolbachia pipientis | Wolbachia pipientis | Percent Effect | -0.03029 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Inhibition | 4.631 | % | 10.6019/CHEMBL3507680 |
| None | Unchecked | Percent Effect | -41.53 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -4.653 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -2.291 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | -0.05748 | % | 10.6019/CHEMBL3988442 |