Detailed information for compound 1644856

Basic information

Technical information
  • TDR Targets ID: 1644856
  • Name: 5-methyl-7-phenyl-3H-indolizin-4-ium
  • MW: 208.278 | Formula: C15H14N+
  • H donors: 0 H acceptors: 0 LogP: 3.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(cc2[n+]1CC=C2)c1ccccc1
  • InChi: 1S/C15H14N/c1-12-10-14(13-6-3-2-4-7-13)11-15-8-5-9-16(12)15/h2-8,10-11H,9H2,1H3/q+1
  • InChiKey: DOLMKMXAOOHSSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCI60_006601

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
Entamoeba histolytica hypothetical protein 0.0078 0.1148 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0161 0.3276 1
Brugia malayi beta-lactamase 0.004 0.016 0.0166
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.016 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.016 0.016
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.016 0.5
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0036 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.016 0.016
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0161 0.3276 0.3226
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0423 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.1859 0.1932
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0057 0.0611 0.1676
Brugia malayi MH2 domain containing protein 0.0259 0.5805 0.6035
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0423 1 1
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0057 0.0611 0.1449
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0161 0.3276 0.5669
Trypanosoma brucei acetyl-CoA carboxylase 0.0423 1 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.1859 0.1932
Loa Loa (eye worm) beta-lactamase 0.004 0.016 0.0166
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0036 0.0075 0.0075
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0057 0.0611 0.1676
Mycobacterium ulcerans pyruvate carboxylase 0.0161 0.3276 1
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.016 0.5
Entamoeba histolytica hypothetical protein 0.0078 0.1148 1
Schistosoma mansoni hypothetical protein 0.0072 0.0998 0.0998
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0161 0.3276 1
Entamoeba histolytica hypothetical protein 0.0078 0.1148 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0306 0.6999 1
Mycobacterium ulcerans hypothetical protein 0.004 0.016 0.0266
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0161 0.3276 0.5669
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0057 0.0611 0.0541
Leishmania major carboxylase, putative 0.0161 0.3276 0.3226
Onchocerca volvulus 0.004 0.016 0.5
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0161 0.3276 1
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Onchocerca volvulus 0.004 0.016 0.5
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0057 0.0611 0.0927
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0057 0.0611 0.0821
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.016 0.0147
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0161 0.3276 0.5531
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0408 0.962 1
Toxoplasma gondii ABC1 family protein 0.004 0.016 0.0086
Entamoeba histolytica hypothetical protein 0.0078 0.1148 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0057 0.0611 0.0927
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.016 0.0166
Schistosoma mansoni hypothetical protein 0.0078 0.1148 0.1148
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0057 0.0611 0.0821
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.016 0.016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.1148 0.1148
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0306 0.6999 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.1859 0.1932
Plasmodium vivax hypothetical protein, conserved 0.004 0.016 0.0123
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0078 0.1148 0.1148
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0161 0.3276 0.3276
Brugia malayi hypothetical protein 0.0078 0.1148 0.1194
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0057 0.0611 0.1676
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0161 0.3276 0.3276
Trypanosoma cruzi acetyl-CoA carboxylase 0.0262 0.5863 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0161 0.3276 0.3276
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0423 1 1
Toxoplasma gondii pyruvate carboxylase 0.0161 0.3276 0.3226
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0254 0.5658 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0057 0.0611 0.1676
Brugia malayi beta-lactamase family protein 0.004 0.016 0.0166
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0057 0.0611 0.0611
Brugia malayi beta-lactamase family protein 0.004 0.016 0.0166
Brugia malayi Carboxyl transferase domain containing protein 0.0408 0.962 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.1859 0.1932
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0057 0.0611 0.0611
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0161 0.3276 0.3226
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Mycobacterium ulcerans lipase LipD 0.004 0.016 0.0266
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0057 0.0611 0.1449
Trichomonas vaginalis esterase, putative 0.004 0.016 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0161 0.3276 0.3226
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0161 0.3276 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.016 0.0266
Schistosoma mansoni pyruvate carboxylase 0.0161 0.3276 0.3276
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.016 0.0166
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0057 0.0611 0.1676
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0057 0.0611 0.1676
Loa Loa (eye worm) hypothetical protein 0.004 0.016 0.0166
Trypanosoma brucei hypothetical protein, conserved 0.004 0.016 0.0086
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0057 0.0611 0.0541
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.016 0.0266
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.016 0.016
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0057 0.0611 0.0611
Loa Loa (eye worm) MH2 domain-containing protein 0.0259 0.5805 0.6035
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0072 0.0992 0.5
Onchocerca volvulus 0.004 0.016 0.5
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0161 0.3276 0.3276
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0057 0.0611 0.0541
Trypanosoma brucei unspecified product 0.0106 0.1859 0.1798
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0057 0.0611 0.0541
Mycobacterium ulcerans beta-lactamase 0.004 0.016 0.0266
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.016 0.0147
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0057 0.0611 0.1676
Loa Loa (eye worm) hypothetical protein 0.0072 0.0998 0.1038
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.016 0.5
Schistosoma mansoni acetyl-CoA carboxylase 0.0423 1 1
Leishmania major acetyl-CoA carboxylase, putative 0.0423 1 1
Chlamydia trachomatis biotin carboxylase 0.0146 0.2896 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0036 0.0075 0.0075
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0161 0.3276 1
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0998 0.1038
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0057 0.0611 0.0927
Leishmania major hypothetical protein, conserved 0.004 0.016 0.0086
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.1148 0.1148
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0057 0.0611 0.1449
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.016 0.5
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0161 0.3276 0.5531
Loa Loa (eye worm) transcription factor SMAD2 0.0259 0.5805 0.6035

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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