Detailed information for compound 1626150

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.492 | Formula: C24H18N4S
  • H donors: 0 H acceptors: 1 LogP: 5.26 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)c1n/c(=N\Cc2cccnc2)/sn1c1cccc2c1cccc2
  • InChi: 1S/C24H18N4S/c1-2-10-20(11-3-1)23-27-24(26-17-18-8-7-15-25-16-18)29-28(23)22-14-6-12-19-9-4-5-13-21(19)22/h1-16H,17H2/b26-24+
  • InChiKey: VJCDIYGLZHMTNC-SHHOIMCASA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma brucei unspecified product 0.1645 0.2059 0.1798
Leishmania major acetyl-CoA carboxylase, putative 0.6571 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0368 0 0.5
Schistosoma mansoni pyruvate carboxylase 0.2503 0.3442 0.3226
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.089 0.0842 0.0927
Chlamydia trachomatis biotin carboxylase 0.2273 0.3071 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4755 0.7073 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.6571 1 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.089 0.0842 0.0541
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1121 0.1213 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2503 0.3442 0.3226
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.089 0.0842 0.0541
Loa Loa (eye worm) TK/FAK protein kinase 0.3777 0.5496 0.5707
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.2503 0.3442 1
Echinococcus granulosus protein tyrosine kinase 0.3733 0.5425 0.5004
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.089 0.0842 0.0927
Leishmania major propionyl-coa carboxylase beta chain, putative 0.089 0.0842 0.0541
Leishmania major carboxylase, putative 0.2503 0.3442 0.3226
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.2503 0.3442 1
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.2503 0.3442 1
Trypanosoma brucei acetyl-CoA carboxylase 0.6571 1 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.2503 0.3442 0.3226
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.089 0.0842 0.1676
Brugia malayi Protein kinase domain containing protein 0.3777 0.5496 0.5707
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2503 0.3442 0.5531
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.1121 0.1213 0.5
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.2503 0.3442 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.2503 0.3442 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2503 0.3442 0.3226
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.2503 0.3442 0.3226
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.2503 0.3442 0.3226
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.089 0.0842 0.1676
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.6341 0.9629 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.2503 0.3442 0.5531
Echinococcus multilocularis protein tyrosine kinase 0.3733 0.5425 0.5004
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.089 0.0842 0.1676
Schistosoma mansoni tyrosine kinase 0.3733 0.5425 0.5275
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.6571 1 1
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.089 0.0842 0.0541
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.4755 0.7073 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.6571 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.6571 1 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.089 0.0842 0.0541
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.089 0.0842 0.0927
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.2503 0.3442 1
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.089 0.0842 0.1676
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.2503 0.3442 1
Mycobacterium ulcerans pyruvate carboxylase 0.2503 0.3442 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.089 0.0842 0.1676
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.089 0.0842 0.1676
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.2503 0.3442 0.2839
Brugia malayi Carboxyl transferase domain containing protein 0.6341 0.9629 1
Toxoplasma gondii pyruvate carboxylase 0.2503 0.3442 0.3226
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.089 0.0842 0.1676
Trypanosoma cruzi acetyl-CoA carboxylase 0.4068 0.5965 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.2503 0.3442 0.2839

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.
 
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

No literature references available for this target.

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