Detailed information for compound 2066662

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.338 | Formula: C13H20N6O
  • H donors: 0 H acceptors: 4 LogP: 1.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1onc(n1)CN1CCCC1Cn1cncn1
  • InChi: 1S/C13H20N6O/c1-2-4-13-16-12(17-20-13)8-18-6-3-5-11(18)7-19-10-14-9-15-19/h9-11H,2-8H2,1H3
  • InChiKey: LKHWJVNTDHHYER-UHFFFAOYSA-N  

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
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0193 0.2636 0.2636
Leishmania major acetyl-CoA synthetase, putative 0.0193 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0657 1 1
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0193 0.2636 0.2636
Entamoeba histolytica acyl-CoA synthetase, putative 0.0657 1 1
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0464 0.6939 0.6939
Trichomonas vaginalis antibiotic synthetase, putative 0.0193 0.2636 1
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0193 0.2636 0.2636
Brugia malayi AMP-binding enzyme family protein 0.0657 1 1
Mycobacterium ulcerans O-succinylbenzoic acid--CoA ligase 0.0193 0.2636 0.2636
Leishmania major 4-coumarate:coa ligase-like protein 0.0657 1 1
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0193 0.2636 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0657 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0464 0.6939 0.6939
Plasmodium falciparum acyl-CoA synthetase 0.0491 0.7364 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0193 0.2636 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0657 1 1
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0193 0.2636 0.3579
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0193 0.2636 0.2636
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0193 0.2636 0.2636
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0657 1 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0657 1 1
Onchocerca volvulus 0.0193 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0193 0.2636 0.2636
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0193 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0491 0.7364 0.7364
Mycobacterium ulcerans acyl-CoA synthetase 0.0657 1 1
Brugia malayi AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0193 0.2636 0.2636
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0193 0.2636 1
Mycobacterium tuberculosis PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0166 0.221 0.221
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0193 0.2636 1
Mycobacterium leprae POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0193 0.2636 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0027 0 0.5
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0193 0.2636 1
Toxoplasma gondii propionate-CoA ligase 0.0193 0.2636 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0193 0.2636 0.2636
Mycobacterium ulcerans hypothetical protein 0.0657 1 1
Brugia malayi AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Plasmodium vivax acetyl-CoA synthetase, putative 0.0193 0.2636 0.3579
Loa Loa (eye worm) hypothetical protein 0.0657 1 1
Giardia lamblia Long chain fatty acid CoA ligase, putative 0.0027 0 0.5
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0657 1 1
Brugia malayi AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Giardia lamblia Hypothetical protein 0.0027 0 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0193 0.2636 0.2636
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0193 0.2636 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0193 0.2636 0.2636
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0491 0.7364 0.5
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0193 0.2636 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Onchocerca volvulus 0.0193 0.2636 0.2636
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0193 0.2636 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0491 0.7364 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0657 1 1
Loa Loa (eye worm) oxidoreductase 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0464 0.6939 0.6939
Loa Loa (eye worm) hypothetical protein 0.0491 0.7364 0.7364
Schistosoma mansoni acetyl-CoA synthetase 0.0193 0.2636 1
Onchocerca volvulus 0.0193 0.2636 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Leishmania major 4-coumarate:coa ligase-like protein 0.0657 1 1
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0193 0.2636 0.2636
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0491 0.7364 0.7364
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0193 0.2636 0.2636
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0027 0 0.5
Leishmania major acetyl-CoA synthetase, putative 0.0193 0.2636 0.2636
Mycobacterium leprae Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase) 0.0193 0.2636 0.2636
Onchocerca volvulus 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0193 0.2636 0.2636
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0027 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0193 0.2636 0.2636
Treponema pallidum long-chain-fatty-acid--CoA ligase 0.0027 0 0.5
Mycobacterium ulcerans acetyl-CoA synthetase 0.0193 0.2636 0.2636
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0193 0.2636 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0657 1 1
Mycobacterium leprae POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE) 0.0193 0.2636 0.2636
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0657 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0464 0.6939 0.6939
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0657 1 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0193 0.2636 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.7364 0.7364
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Giardia lamblia Long chain fatty acid CoA ligase 5 0.0027 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0193 0.2636 0.2636
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0193 0.2636 0.2636
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0491 0.7364 0.7364
Giardia lamblia Long chain fatty acid CoA ligase 4 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0491 0.7364 0.7364
Trichomonas vaginalis antibiotic synthetase, putative 0.0193 0.2636 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0193 0.2636 0.2636
Loa Loa (eye worm) hypothetical protein 0.0657 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Mycobacterium ulcerans acyl-CoA synthetase 0.0193 0.2636 0.2636
Entamoeba histolytica acyl-coA synthetase, putative 0.0657 1 1
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0193 0.2636 0.2636
Onchocerca volvulus 0.0657 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0657 1 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.7364 0.7364
Mycobacterium ulcerans acyl-CoA synthetase 0.0657 1 1
Brugia malayi AMP-binding enzyme family protein 0.0193 0.2636 0.2636
Brugia malayi AMP-binding enzyme family protein 0.0657 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0657 1 1

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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