Detailed information for compound 210293

Basic information

Technical information
  • TDR Targets ID: 210293
  • Name: (E)-3-quinolin-2-ylprop-2-enal
  • MW: 183.206 | Formula: C12H9NO
  • H donors: 0 H acceptors: 2 LogP: 2.11 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C/C=C/c1ccc2c(n1)cccc2
  • InChi: 1S/C12H9NO/c14-9-3-5-11-8-7-10-4-1-2-6-12(10)13-11/h1-9H/b5-3+
  • InChiKey: DIEFKJUFJHCQEE-HWKANZROSA-N  

Network

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Synonyms

  • (E)-3-(2-quinolyl)prop-2-enal
  • (E)-3-(2-quinolyl)-2-propenal
  • (E)-3-(2-quinolyl)acrolein
  • (2E)-3-Quinolin-2-ylacrylaldehyde
  • AIDS-188920
  • AIDS188920

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
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0386234 1 1
Toxoplasma gondii methionine aminopeptidase 0.00535768 0.0652779 1
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.00535768 0.0652779 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.00535768 0.0652779 0.5
Loa Loa (eye worm) hypothetical protein 0.00777652 0.133244 1
Brugia malayi Cache domain containing protein 0.00777652 0.133244 1
Trypanosoma brucei methionine aminopeptidase, putative 0.00535768 0.0652779 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.00535768 0.0652779 0.0652779
Mycobacterium ulcerans methionine aminopeptidase 0.00303451 0 0.5
Schistosoma mansoni hypothetical protein 0.0090726 0.169663 0.43708
Echinococcus granulosus voltage dependent calcium channel subunit 0.0386234 1 1
Mycobacterium ulcerans methionine aminopeptidase MapB 0.00303451 0 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0168491 0.388172 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00535768 0.0652779 0.5
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0176505 0.41069 0.41069
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.00535768 0.0652779 0.5
Treponema pallidum methionine aminopeptidase (map) 0.00303451 0 0.5
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.00857789 0.155762 0.401269
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.00303451 0 0.5
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.00303451 0 0.5
Schistosoma mansoni serine-rich repeat protein 0.0090726 0.169663 0.43708
Chlamydia trachomatis methionine aminopeptidase 0.00303451 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.00303451 0 0.5
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.00535768 0.0652779 0.5
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.00535768 0.0652779 1
Plasmodium vivax methionine aminopeptidase 1b, putative 0.00535768 0.0652779 1
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.00303451 0 0.5
Echinococcus granulosus voltage dependent calcium channel subunit 0.0176505 0.41069 0.369534
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.00303451 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM In vitro anti protozoal activity of the compound against Plasmodium falciparum sensitive strain W2; ND = Not determined ChEMBL. 15203133
IC50 (functional) = 2 uM In vitro anti protozoal activity against Leishmania infantum strain MHOM-ET-67/L82 was determined ChEMBL. 15203133
IC50 (functional) = 2 uM In vitro anti protozoal activity against Leishmania infantum strain MHOM-ET-67/L82 was determined ChEMBL. 15203133
IC50 (functional) = 4 uM In vitro anti protozoal activity against Leishmania amazonensis strain MHOM/ET/L82/LV9 was determined ChEMBL. 15203133
IC50 (functional) = 5 uM In vitro anti protozoal activity against Trypanosoma cruzi strain Tulahuen CL2 was determined ChEMBL. 15203133
IC50 (functional) = 5 uM In vitro anti protozoal activity against Trypanosoma cruzi strain Tulahuen CL2 was determined ChEMBL. 15203133
IC50 (functional) = 9 uM Cytotoxicity of the compound was determined in macrophages ChEMBL. 15203133
IC50 (functional) = 9 uM Cytotoxicity of the compound was determined in macrophages ChEMBL. 15203133
IC50 (functional) = 16 uM Cytotoxicity of the compound was determined in MRC-5 cells ChEMBL. 15203133
IC50 (functional) = 16 uM Cytotoxicity of the compound was determined in MRC-5 cells ChEMBL. 15203133
IC50 (functional) = 19 uM In vitro anti protozoal activity against Trypanosoma brucei strain S427 was determined ChEMBL. 15203133
IC50 (functional) = 19 uM In vitro anti protozoal activity against Trypanosoma brucei strain S427 was determined ChEMBL. 15203133
IC50 (functional) = 31 uM In vitro anti protozoal activity of the compound against Plasmodium falciparum resistant strain Ghana was determined ChEMBL. 15203133
IC50 (functional) = 31 uM In vitro anti protozoal activity of the compound against Plasmodium falciparum resistant strain Ghana was determined ChEMBL. 15203133
Inhibition (functional) = 34 % Inhibitory activity against human T-lymphotropic virus type 1 (HTLV-1) infected HUT-102 cells at 10 microM. ChEMBL. 12617915
Inhibition (functional) = 34 % Inhibitory activity against proliferationof HTLV-1 transformed cell lines (HUT-102) at 10 microM ChEMBL. 15203133

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei ChEMBL23 15203133
Trypanosoma cruzi ChEMBL23 15203133
Trypanosoma brucei gambiense 15203133
Leishmania infantum ChEMBL23 15203133
Homo sapiens ChEMBL23 15203133

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

2 literature references were collected for this gene.

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