Detailed information for compound 623682

Basic information

Technical information
  • TDR Targets ID: 623682
  • Name: N-[4-amino-2-[2-[(4-methoxyphenyl)amino]-2-ox oethyl]sulfanyl-6-oxo-3H-pyrimidin-5-yl]thiop hene-2-carboxamide
  • MW: 431.489 | Formula: C18H17N5O4S2
  • H donors: 4 H acceptors: 5 LogP: 2.4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)CSc1nc(N)c(c(n1)O)NC(=O)c1cccs1
  • InChi: 1S/C18H17N5O4S2/c1-27-11-6-4-10(5-7-11)20-13(24)9-29-18-22-15(19)14(17(26)23-18)21-16(25)12-3-2-8-28-12/h2-8H,9H2,1H3,(H,20,24)(H,21,25)(H3,19,22,23,26)
  • InChiKey: HQBCPNMNQDOAJM-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[4-amino-2-[2-[(4-methoxyphenyl)amino]-2-oxo-ethyl]sulfanyl-6-oxo-3H-pyrimidin-5-yl]thiophene-2-carboxamide
  • N-[4-amino-2-[[2-[(4-methoxyphenyl)amino]-2-oxoethyl]thio]-6-oxo-3H-pyrimidin-5-yl]-2-thiophenecarboxamide
  • N-[4-amino-6-keto-2-[[2-keto-2-[(4-methoxyphenyl)amino]ethyl]thio]-3H-pyrimidin-5-yl]thiophene-2-carboxamide
  • ZINC02712449
  • MLS000419100
  • SMR000320447

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
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.2832 0.3487
Mycobacterium ulcerans glutaminase 0.0283 0.7883 1
Schistosoma mansoni survival motor neuron protein 0.005 0.0498 0.0478
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0907 1
Brugia malayi hypothetical protein 0.0245 0.6673 0.844
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2942 0.3629
Schistosoma mansoni hypothetical protein 0.0164 0.4127 0.5157
Loa Loa (eye worm) glutaminase 2 0.0283 0.7883 1
Loa Loa (eye worm) glutaminase 0.0283 0.7883 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2942 0.3629
Echinococcus granulosus tar DNA binding protein 0.0127 0.2942 0.2851
Brugia malayi TAR-binding protein 0.0127 0.2942 0.3629
Loa Loa (eye worm) hypothetical protein 0.0051 0.0538 0.053
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0907 0.1006
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0538 0.053
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0498 0.0478
Loa Loa (eye worm) hypothetical protein 0.0245 0.6673 0.844
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0907 0.1006
Onchocerca volvulus 0.0051 0.0538 0.0119
Onchocerca volvulus 0.0156 0.3872 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.2832 0.3487
Schistosoma mansoni hypothetical protein 0.005 0.0498 0.0478
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0127 0.5
Loa Loa (eye worm) RNA binding protein 0.0127 0.2942 0.3629
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2942 0.3629
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0907 0.079
Brugia malayi hypothetical protein 0.0156 0.3872 0.4829
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2942 0.2851
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0907 0.1006
Schistosoma mansoni glutaminase 0.0283 0.7883 1
Echinococcus multilocularis geminin 0.0164 0.4127 0.4051
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.6673 0.663
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0907 1
Brugia malayi RNA binding protein 0.0127 0.2942 0.3629
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2942 0.3629
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0127 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2942 0.3629
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0907 0.079
Trichomonas vaginalis glutaminase, putative 0.0283 0.7883 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0127 0.5
Echinococcus multilocularis tumor protein p63 0.035 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.6673 0.663
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2942 0.3629
Schistosoma mansoni hypothetical protein 0.0164 0.4127 0.5157
Loa Loa (eye worm) hypothetical protein 0.0156 0.3872 0.4829
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0127 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2942 0.3629
Brugia malayi glutaminase DH11.1 0.0283 0.7883 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0907 0.1006
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0907 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2942 0.3629
Echinococcus granulosus geminin 0.0164 0.4127 0.4051
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0907 0.1006
Brugia malayi MH2 domain containing protein 0.0124 0.2832 0.3487
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0127 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

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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