Detailed information for compound 140497

Basic information

Technical information
  • TDR Targets ID: 140497
  • Name: [(E)-[5-(prop-2-enylamino)pyridin-2-yl]methyl ideneamino]thiourea
  • MW: 235.309 | Formula: C10H13N5S
  • H donors: 2 H acceptors: 1 LogP: 1.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCNc1ccc(nc1)/C=N/N=C(\S)/N
  • InChi: 1S/C10H13N5S/c1-2-5-12-8-3-4-9(13-6-8)7-14-15-10(11)16/h2-4,6-7,12H,1,5H2,(H3,11,15,16)/b14-7+
  • InChiKey: NZQVQMFRRFARHU-VGOFMYFVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(E)-[5-(allylamino)-2-pyridyl]methyleneamino]thiourea
  • 1-[(E)-[5-(prop-2-enylamino)pyridin-2-yl]methylideneamino]thiourea
  • [[5-(prop-2-enylamino)pyridin-2-yl]methylideneamino]thiourea
  • [[5-(allylamino)-2-pyridyl]methyleneamino]thiourea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribonucleotide reductase M2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania mexicana ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Brugia malayi ribonucleotide reductase 2 Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania braziliensis ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei gambiense ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Cryptosporidium hominis ribonucleotide reductase R2 subunit Get druggable targets OG5_126823 All targets in OG5_126823
Treponema pallidum ribonucleotide-diphosphate reductase subunit beta Get druggable targets OG5_126823 All targets in OG5_126823
Loa Loa (eye worm) ribonucleotide reductase M2 B Get druggable targets OG5_126823 All targets in OG5_126823
Candida albicans small subunit of ribonucleotide reductase Get druggable targets OG5_126823 All targets in OG5_126823
Plasmodium berghei ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Candida albicans subunit of ribonucleotide reductase Get druggable targets OG5_126823 All targets in OG5_126823
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania infantum ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Plasmodium yoelii Ribonucleotide reductase, small chain Get druggable targets OG5_126823 All targets in OG5_126823
Cryptosporidium parvum ribonucleotide reductase small subunit, duplicated adjacent gene Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma congolense ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei gambiense ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania major ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma congolense ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) Get druggable targets OG5_126823 All targets in OG5_126823
Babesia bovis ribonucleoside-diphosphate reductase small subunit, putative Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Trypanosoma brucei gambiense ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania mexicana ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Schistosoma japonicum ko:K00526 ribonucleoside-diphosphate reductase beta chain [EC1.17.4.1B], putative Get druggable targets OG5_126823 All targets in OG5_126823
Echinococcus granulosus ribonucleoside diphosphate reductase subunit Get druggable targets OG5_126823 All targets in OG5_126823
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania braziliensis ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Neospora caninum hypothetical protein Get druggable targets OG5_126823 All targets in OG5_126823
Theileria parva ribonucleotide-diphosphate reductase small subunit, putative Get druggable targets OG5_126823 All targets in OG5_126823
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain Get druggable targets OG5_126823 All targets in OG5_126823
Candida albicans small subunit of ribonucleotide reductase Get druggable targets OG5_126823 All targets in OG5_126823
Candida albicans subunit of ribonucleotide reductase Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania infantum ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Leishmania major ribonucleoside-diphosphate reductase small chain, putative Get druggable targets OG5_126823 All targets in OG5_126823
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit Get druggable targets OG5_126823 All targets in OG5_126823
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 Glutamate receptor ionotropic kainate 2 0.0029 0.0014 0.0014
Echinococcus multilocularis inhibitor of apoptosis protein 0.011 0.026 0.026
Leishmania major eukaryotic initiation factor 4a, putative 0.0346 0.0982 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.011 0.026 0.2649
Brugia malayi MH2 domain containing protein 0.0117 0.0282 0.2873
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.011 0.026 0.026
Schistosoma mansoni hypothetical protein 0.011 0.026 0.2649
Echinococcus granulosus geminin 0.0166 0.0432 0.0432
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.093 0.2769 0.5
Treponema pallidum ATP-dependent RNA helicase 0.0346 0.0982 1
Echinococcus granulosus nmda type glutamate receptor 0.0032 0.0024 0.0024
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0346 0.0982 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0346 0.0982 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0032 0.0024 0.0024
Echinococcus multilocularis geminin 0.0166 0.0432 0.0432
Leishmania major eukaryotic initiation factor 4a, putative 0.0346 0.0982 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0346 0.0982 1
Loa Loa (eye worm) hypothetical protein 0.011 0.026 0.2649
Echinococcus granulosus inhibitor of apoptosis protein 0.011 0.026 0.026
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0029 0.0014 0.0014
Echinococcus multilocularis nmda type glutamate receptor 0.0032 0.0024 0.0024
Echinococcus multilocularis thymidine phosphorylase 0.3296 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0014 0.0014
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0346 0.0982 0.0982
Echinococcus multilocularis glutamate receptor 2 0.0029 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.011 0.026 0.2649
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0029 0.0014 0.0014
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0346 0.0982 0.0937
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0346 0.0982 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0014 0.0014
Echinococcus granulosus baculoviral IAP repeat containing protein 0.011 0.026 0.026
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta 0.0041 0.005 0.5
Mycobacterium ulcerans thymidine phosphorylase 0.3296 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0346 0.0982 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0014 0.0014
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.093 0.2769 0.2733
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0346 0.0982 0.0982
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0041 0.005 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0014 0.0014
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0041 0.005 0.005
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.011 0.026 0.2649
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0346 0.0982 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0282 0.2873
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.3296 1 1
Brugia malayi ribonucleotide reductase 2 0.0041 0.005 0.0506
Echinococcus granulosus glutamate receptor 2 0.0029 0.0014 0.0014
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0346 0.0982 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0282 0.2873
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0346 0.0982 1
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0041 0.005 0.0506
Schistosoma mansoni inhibitor of apoptosis protein 0.011 0.026 0.2649
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0346 0.0982 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.0432 0.4396
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.011 0.026 0.2649
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0346 0.0982 0.0982
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0346 0.0982 1
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0346 0.0982 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0346 0.0982 0.0982
Loa Loa (eye worm) hypothetical protein 0.0346 0.0982 1
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0041 0.005 0.0506
Schistosoma mansoni glutamate receptor NMDA 0.0029 0.0014 0.0144
Brugia malayi eukaryotic initiation factor 4A 0.0346 0.0982 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0346 0.0982 0.5
Plasmodium vivax RNA helicase-1, putative 0.0346 0.0982 1
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0041 0.005 0.005
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0014 0.0014
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0346 0.0982 1
Schistosoma mansoni hypothetical protein 0.0166 0.0432 0.4396

Activities

Activity type Activity value Assay description Source Reference
Average survival (functional) = 17.2 day Average survival time includes only those mice that died prior to day 60(daily dosage 40 mg/kg) ChEMBL. 8691457
Average survival (functional) = 17.2 day Average survival time includes only those mice that died prior to day 60(daily dosage 40 mg/kg) ChEMBL. 8691457
IC50 (binding) = 1.4 uM Inhibitory activity against CDP reductase. ChEMBL. 8691457
IC50 (binding) = 1.4 uM Inhibitory activity against CDP reductase. ChEMBL. 8691457
IC50 (functional) = 4.4 uM Compound was tested for inhibition of L1210 cells growth in culture. ChEMBL. 8691457
IC50 (functional) = 4.4 uM Compound was tested for inhibition of L1210 cells growth in culture. ChEMBL. 8691457
Survivors (functional) = 0 Long time survivors(out of 5) are the number of mice that survived for > 60 days relative to the total number of treated mice ChEMBL. 8691457
T/C (functional) = 215 T/C(100) represents the ratio of the survival time of treated to control animals x 100(daily dosage 60 mg/kg) ChEMBL. 8691457
Weight (functional) = -3.4 % Average change in body weight from onset to termination of therapy(daily dosage 40 mg/kg) ChEMBL. 8691457
Weight (functional) = -3.4 % Average change in body weight from onset to termination of therapy(daily dosage 40 mg/kg) ChEMBL. 8691457

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 8691457

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

1 literature reference was collected for this gene.

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