Detailed information for compound 1839941

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.887 | Formula: C23H35BrClNO
  • H donors: 0 H acceptors: 1 LogP: 8.19 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCC(/C=C/C(=O)N(Cc1ccc(cc1)Cl)CC(C)C)Br
  • InChi: 1S/C23H35BrClNO/c1-4-5-6-7-8-9-10-21(24)13-16-23(27)26(17-19(2)3)18-20-11-14-22(25)15-12-20/h11-16,19,21H,4-10,17-18H2,1-3H3/b16-13+
  • InChiKey: YRBRRRYWFFTCHH-DTQAZKPQSA-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
Echinococcus granulosus raf serine:threonine protein kinase 0.0648 0.4262 0.4262
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0195 0.0962 0.1676
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.104 0.7111 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0195 0.0962 0.0927
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0195 0.0962 0.0541
Echinococcus granulosus roundabout 2 0.0075 0.0088 0.0088
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0195 0.0962 0.0541
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0548 0.3528 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.089 0.6018 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0548 0.3528 0.5531
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0548 0.3528 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0548 0.3528 0.3528
Toxoplasma gondii pyruvate carboxylase 0.0548 0.3528 0.3226
Brugia malayi Carboxyl transferase domain containing protein 0.1387 0.9634 1
Loa Loa (eye worm) raf kinase 0.0641 0.4208 0.4367
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.1437 1 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0195 0.0962 0.0541
Onchocerca volvulus Tyrosine kinase homolog 0.0719 0.4773 1
Leishmania major carboxylase, putative 0.0548 0.3528 0.3226
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0195 0.0962 0.1676
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0548 0.3528 0.3226
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0195 0.0962 0.1676
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0195 0.0962 0.0541
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0195 0.0962 0.1676
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0124 0.0445 0.0445
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0195 0.0962 0.0927
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0548 0.3528 0.3226
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0769 0.514 0.5335
Loa Loa (eye worm) hypothetical protein 0.0075 0.0088 0.0091
Mycobacterium ulcerans pyruvate carboxylase 0.0548 0.3528 1
Trypanosoma brucei unspecified product 0.036 0.2163 0.1798
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0195 0.0962 0.1676
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.1437 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0548 0.3528 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0195 0.0962 0.0962
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0195 0.0962 0.0927
Chlamydia trachomatis biotin carboxylase 0.0497 0.3161 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0124 0.0445 0.0445
Echinococcus multilocularis raf serine:threonine protein kinase 0.0648 0.4262 0.4211
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.104 0.7111 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0245 0.1328 0.5
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0548 0.3528 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0195 0.0962 0.0882
Trypanosoma brucei acetyl-CoA carboxylase 0.1437 1 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.1437 1 1
Leishmania major acetyl-CoA carboxylase, putative 0.1437 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0088 0.0091
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0548 0.3528 0.3226
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0548 0.3528 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.1387 0.9634 1
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0369 0.2233 0.2318
Schistosoma mansoni pyruvate carboxylase 0.0548 0.3528 0.3528
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0195 0.0962 0.1676
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0548 0.3528 0.3528
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0548 0.3528 0.3528
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0124 0.0445 0.0445
Schistosoma mansoni acetyl-CoA carboxylase 0.1437 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0648 0.4262 0.4262
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0548 0.3528 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0548 0.3528 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0548 0.3528 0.5531
Brugia malayi Immunoglobulin I-set domain containing protein 0.0769 0.514 0.1882
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0245 0.1328 0.5
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0195 0.0962 0.1676
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0195 0.0962 0.0962
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0548 0.3528 0.347

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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