Detailed information for compound 306681

Basic information

Technical information
  • TDR Targets ID: 306681
  • Name: 5-methyl-11-propan-2-ylindolo[3,2-b]quinoline
  • MW: 274.36 | Formula: C19H18N2
  • H donors: 0 H acceptors: 1 LogP: 4.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1c2ccccc2n(c2c1nc1c2cccc1)C)C
  • InChi: 1S/C19H18N2/c1-12(2)17-14-9-5-7-11-16(14)21(3)19-13-8-4-6-10-15(13)20-18(17)19/h4-12H,1-3H3
  • InChiKey: SJPBNUIPWOHEAC-UHFFFAOYSA-N  

Network

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Synonyms

  • 11-isopropyl-5-methyl-indolo[3,2-b]quinoline
  • 11-isopropyl-5-methylindolo[3,2-b]quinoline
  • 5-methyl-11-propan-2-yl-indolo[3,2-b]quinoline
  • 5-methyl-11-propan-2-ylquinolino[3,2-b]indole
  • 11-isopropyl-5-methyl-quinolino[3,2-b]indole
  • 11-isopropyl-5-methylquinolino[3,2-b]indole
  • 5-methyl-11-propan-2-yl-quinolino[3,2-b]indole

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus Matrix metalloproteinase homolog 0.138112 0.679058 1
Brugia malayi Matrixin family protein 0.06227 0.289449 0.46757
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.034458 0.146575 0.491242
Loa Loa (eye worm) hypothetical protein 0.0074056 0.00760379 0.0111976
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0758417 0.359169 0.583232
Brugia malayi Matrixin family protein 0.06227 0.289449 0.46757
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.200587 1 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0758417 0.359169 1
Loa Loa (eye worm) matrixin family protein 0.138112 0.679058 1
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.06227 0.289449 0.996278
Mycobacterium leprae PROBABLE HYDROLASE 0.0758417 0.359169 1
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518
Brugia malayi Matrixin family protein 0.06227 0.289449 0.46757
Loa Loa (eye worm) hypothetical protein 0.06227 0.289449 0.426251
Loa Loa (eye worm) hypothetical protein 0.06227 0.289449 0.426251
Loa Loa (eye worm) matrix metalloproteinase 0.06227 0.289449 0.426251
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518
Loa Loa (eye worm) hypothetical protein 0.0758417 0.359169 0.528922
Loa Loa (eye worm) hypothetical protein 0.0074056 0.00760379 0.0111976
Onchocerca volvulus Matrilysin homolog 0.138112 0.679058 1
Schistosoma mansoni hypothetical protein 0.062475 0.290502 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.200587 1 1
Brugia malayi Matrixin family protein 0.124745 0.610391 1
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518
Loa Loa (eye worm) hypothetical protein 0.06227 0.289449 0.426251
Brugia malayi Hemopexin family protein 0.062475 0.290502 0.469317
Brugia malayi Matrixin family protein 0.06227 0.289449 0.46757
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518
Mycobacterium ulcerans hydrolase 0.0758417 0.359169 1
Toxoplasma gondii peptidase family M13 protein 0.0074056 0.00760379 0.5
Onchocerca volvulus 0.062475 0.290502 0.00270277
Loa Loa (eye worm) matrixin family protein 0.124745 0.610391 0.89888
Loa Loa (eye worm) hypothetical protein 0.0074056 0.00760379 0.0111976
Loa Loa (eye worm) hypothetical protein 0.00609135 0.000852342 0.00125518

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.2 uM Antiplasmodial activity against chloroquine-resistant K1 strain of Plasmodium falciparum ChEMBL. 11300877
IC50 (functional) = 2.2 uM Antiplasmodial activity against chloroquine-resistant K1 strain of Plasmodium falciparum ChEMBL. 11300877
IC50 (functional) = 6.5 uM In vitro cell survival assay on cancer KB cell lines ChEMBL. 11300877
IC50 (functional) = 23.8 uM In vitro cytotoxicity against L6 cells ChEMBL. 11300877
IS (functional) = 10.6 Index of selectivity was determined in P. falciparum ChEMBL. 11300877
IS (functional) = 10.6 Index of selectivity was determined in P. falciparum ChEMBL. 11300877

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 11300877

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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