Detailed information for compound 1055853

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.336 | Formula: C14H13N3O4S
  • H donors: 1 H acceptors: 2 LogP: 3.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1csc(n1)N/N=C/c1ccc2c(c1)OCO2
  • InChi: 1S/C14H13N3O4S/c1-2-19-13(18)10-7-22-14(16-10)17-15-6-9-3-4-11-12(5-9)21-8-20-11/h3-7H,2,8H2,1H3,(H,16,17)/b15-6+
  • InChiKey: LTFWBRPDKANLJI-GIDUJCDVSA-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
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Brugia malayi intermediate filament protein 0.0054 0.0167 0.0167
Onchocerca volvulus 0.0099 0.0464 0.7012
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0251 0.0251
Brugia malayi TAR-binding protein 0.019 0.107 0.107
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0456 0.0456
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0099 0.0464 0.0464
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0038 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0727 0.173
Entamoeba histolytica Ran family GTPase 0.0045 0.0106 0.0068
Schistosoma mansoni intermediate filament proteins 0.0054 0.0167 0.0373
Loa Loa (eye worm) hypothetical protein 0.0242 0.1413 0.1413
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.5014 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0052 0.0209
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0052 0.0312
Mycobacterium tuberculosis Conserved protein 0.0037 0.0052 0.0209
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0106 0.643
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0052 0.0003
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0138 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0727 0.173
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0052 1
Trichomonas vaginalis esterase, putative 0.0037 0.0052 0.0003
Echinococcus granulosus tar DNA binding protein 0.019 0.107 0.2561
Schistosoma mansoni ran 0.0045 0.0106 0.0227
Plasmodium vivax importin-beta 2, putative 0.0061 0.0214 0.0163
Brugia malayi hypothetical protein 0.0242 0.1413 0.1413
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.0138 0.009
Echinococcus multilocularis survival motor neuron protein 1 0.0242 0.1413 0.2801
Loa Loa (eye worm) TAR-binding protein 0.019 0.107 0.107
Trichomonas vaginalis importin beta-1, putative 0.005 0.0137 0.0088
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0138 0.009
Loa Loa (eye worm) hypothetical protein 0.0054 0.0167 0.0167
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0045 0.0106 0.0055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0138 0.0727 0.0727
Brugia malayi beta-lactamase family protein 0.0037 0.0052 0.0052
Leishmania major macrophage migration inhibitory factor-like protein 0.1534 1 1
Brugia malayi hypothetical protein 0.0035 0.0038 0.0038
Brugia malayi RNA recognition motif domain containing protein 0.019 0.107 0.107
Onchocerca volvulus 0.0054 0.0167 0.196
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0052 0.0169
Entamoeba histolytica hypothetical protein 0.005 0.0137 0.0099
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0137 0.0088
Onchocerca volvulus 0.0054 0.0167 0.196
Loa Loa (eye worm) hypothetical protein 0.0061 0.0214 0.0214
Brugia malayi RNA binding protein 0.019 0.107 0.107
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0052 0.0078
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0052 1
Leishmania major hypothetical protein, conserved 0.0037 0.0052 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0727 0.173
Schistosoma mansoni inositol monophosphatase 0.0036 0.0049 0.0088
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0052 0.0209
Giardia lamblia Kinase, CMGC MAPK 0.005 0.0138 0.0032
Echinococcus granulosus intermediate filament protein 0.0054 0.0167 0.0373
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0214 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0052 0.0209
Loa Loa (eye worm) hypothetical protein 0.0099 0.0464 0.0464
Plasmodium falciparum macrophage migration inhibitory factor 0.1534 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0052 0.0209
Loa Loa (eye worm) beta-lactamase 0.0037 0.0052 0.0052
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0013 0.0013
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0045 0.0106 0.3485
Toxoplasma gondii ABC1 family protein 0.0037 0.0052 0.0003
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.0138 0.0251
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.1534 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.005 0.0137 0.9838
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0727 0.1429
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0456 0.0456
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0038 0.0062
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.0138 0.0304
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0052 0.0003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0456 0.0456
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.107 0.107
Onchocerca volvulus 0.0099 0.0464 0.7012
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0464 0.0464
Onchocerca volvulus Huntingtin homolog 0.0125 0.0639 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.0138 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0052 0.0095
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0013 0.0013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0054 0.0167 0.0167
Leishmania major macrophage migration inhibitory factor-like protein 0.1534 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.1368 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0049 0.0088
Echinococcus granulosus snurportin 1 0.0652 0.4143 1
Loa Loa (eye worm) intermediate filament protein 0.0054 0.0167 0.0167
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0049 0.0088
Schistosoma mansoni tar DNA-binding protein 0.019 0.107 0.2561
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0052 0.0095
Brugia malayi MAP kinase sur-1 0.005 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.019 0.107 0.2561
Loa Loa (eye worm) thyroglobulin type-1 repeat family protein 0.0099 0.0464 0.0464
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0038 0.0051
Trypanosoma brucei protein kinase, putative 0.005 0.0138 0.5421
Mycobacterium leprae Probable lipase LipE 0.0037 0.0052 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0052 0.0052
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.0138 0.5421
Loa Loa (eye worm) hypothetical protein 0.0125 0.0639 0.0639
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0138 0.0304
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0138 0.0727 0.1429
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0052 0.0209
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0045 0.0106 0.0058
Echinococcus multilocularis tar DNA binding protein 0.019 0.107 0.2115
Schistosoma mansoni importin beta-1 0.0061 0.0214 0.0486
Schistosoma mansoni tar DNA-binding protein 0.019 0.107 0.2561
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0464 0.0464
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0135 0.0135
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0138 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0052 0.0052
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0049 0.0011
Loa Loa (eye worm) RNA binding protein 0.019 0.107 0.107
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0049 0.0073
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0052 0.0209
Schistosoma mansoni hypothetical protein 0.0518 0.3249 0.7835
Giardia lamblia Macrophage migration inhibitory factor 0.1534 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0138 0.0727 0.0727
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.0138 0.0138
Leishmania major GTP-binding protein, putative 0.0045 0.0106 0.0058
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Leishmania major importin beta-1 subunit, putative 0.005 0.0137 0.0088
Onchocerca volvulus 0.0099 0.0464 0.7012
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0052 0.0095
Brugia malayi Inositol-1 0.0036 0.0049 0.0049
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.0138 0.0251
Loa Loa (eye worm) hypothetical protein 0.0053 0.016 0.016
Mycobacterium ulcerans lipase LipD 0.0037 0.0052 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0013 0.0013
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0226 0.1311 0.1311
Echinococcus granulosus mitogen activated protein kinase 0.005 0.0138 0.0304
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.1534 1 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.1534 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0038 0.0062
Echinococcus granulosus GTP binding nuclear protein Ran 0.0045 0.0106 0.0227
Schistosoma mansoni hypothetical protein 0.0067 0.0251 0.0577
Onchocerca volvulus Huntingtin homolog 0.0125 0.0639 1
Echinococcus multilocularis snurportin 1 0.0652 0.4143 0.8259
Brugia malayi beta-lactamase family protein 0.0037 0.0052 0.0052
Plasmodium falciparum importin beta, putative 0.0061 0.0214 0.0108
Echinococcus granulosus geminin 0.0518 0.3249 0.7835
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0052 0.0003
Schistosoma mansoni lamin 0.0054 0.0167 0.0373
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0138 0.0727 0.173
Onchocerca volvulus 0.0049 0.0135 0.1416
Loa Loa (eye worm) inositol-1 0.0036 0.0049 0.0049
Onchocerca volvulus 0.0099 0.0464 0.7012
Loa Loa (eye worm) hypothetical protein 0.0098 0.0456 0.0456
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0138 0.0727 0.173
Mycobacterium ulcerans hypothetical protein 0.0037 0.0052 1
Echinococcus granulosus survival motor neuron protein 1 0.0242 0.1413 0.3391
Plasmodium vivax macrophage migration inhibitory factor, putative 0.1534 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0464 0.0464
Mycobacterium ulcerans beta-lactamase 0.0037 0.0052 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.1534 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0067 0.0251 0.0251
Trypanosoma brucei importin beta-1 subunit, putative 0.0061 0.0214 1
Echinococcus multilocularis importin subunit beta 1 0.0061 0.0214 0.0402
Schistosoma mansoni tar DNA-binding protein 0.019 0.107 0.2561
Schistosoma mansoni hypothetical protein 0.0049 0.0135 0.0296
Echinococcus granulosus importin subunit beta 1 0.0061 0.0214 0.0486
Trichomonas vaginalis Importin beta-1 subunit, putative 0.005 0.0137 0.0088
Schistosoma mansoni hypothetical protein 0.0518 0.3249 0.7835
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0138 0.009
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0013 0.0013
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0045 0.0106 0.0106
Echinococcus multilocularis musashi 0.0054 0.0167 0.0308
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0045 0.0106 0.643
Brugia malayi Importin beta-1 subunit 0.0061 0.0214 0.0214
Trichomonas vaginalis ran, putative 0.0045 0.0106 0.0058
Brugia malayi follicle stimulating hormone receptor 0.0226 0.1311 0.1311
Echinococcus multilocularis geminin 0.0518 0.3249 0.647
Loa Loa (eye worm) hypothetical protein 0.0125 0.0639 0.0639
Schistosoma mansoni survival motor neuron protein 0.0049 0.0135 0.0296
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0045 0.0106 0.0187
Trichomonas vaginalis CMGC family protein kinase 0.005 0.0138 0.009
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0052 0.0209
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0045 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0099 0.0464 0.0464
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0052 0.0003
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0052 1
Brugia malayi Intermediate filament tail domain containing protein 0.0054 0.0167 0.0167
Brugia malayi RNA, U transporter 1 0.0174 0.0962 0.0962
Brugia malayi Thyroglobulin type-1 repeat family protein 0.0099 0.0464 0.0464
Toxoplasma gondii HEAT repeat-containing protein 0.0061 0.0214 0.0165
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0052 0.0209
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0052 0.0003
Schistosoma mansoni tar DNA-binding protein 0.019 0.107 0.2561
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0652 0.4143 0.4143
Echinococcus multilocularis lamin dm0 0.0054 0.0167 0.0308
Echinococcus granulosus lamin dm0 0.0054 0.0167 0.0373
Brugia malayi beta-lactamase 0.0037 0.0052 0.0052
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.0138 0.009
Echinococcus multilocularis lamin 0.0054 0.0167 0.0308
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.0138 1
Schistosoma mansoni hypothetical protein 0.0652 0.4143 1
Trichomonas vaginalis conserved hypothetical protein 0.1534 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.0138 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0052 0.0312
Loa Loa (eye worm) hypothetical protein 0.0099 0.0464 0.0464
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0719 0.459 0.459
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0049 0.5
Brugia malayi secreted modular calcium-binding protein 1 0.0099 0.0464 0.0464
Schistosoma mansoni ran 0.0045 0.0106 0.0227
Brugia malayi hypothetical protein 0.0125 0.0639 0.0639
Schistosoma mansoni lamin 0.0054 0.0167 0.0373
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0719 0.459 0.459
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.0138 0.009
Echinococcus granulosus lamin 0.0054 0.0167 0.0373
Mycobacterium tuberculosis Conserved protein 0.0037 0.0052 0.0209

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 479 uM Antiparasitic activity against Toxoplasma gondii 2F tachyzoites infected in HFF assessed as parasite growth inhibition-related decrease in beta-galactosidase activity treated prior to infection measured after 5 days by spectrophotometry ChEMBL. 19618935
IC90 (functional) = 2590 uM Antiparasitic activity against Toxoplasma gondii 2F tachyzoites infected in HFF assessed as parasite growth inhibition-related decrease in beta-galactosidase activity treated prior to infection measured after 5 days by spectrophotometry ChEMBL. 19618935
TD50 (ADMET) >= 320 uM Cytotoxicity against human HFF by spectrophotometry ChEMBL. 19618935

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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