Detailed information for compound 1514025

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.73 | Formula: C12H9ClN2O2S
  • H donors: 1 H acceptors: 3 LogP: 2.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1sc(nc1C=O)c1ccc(cc1)Cl
  • InChi: 1S/C12H9ClN2O2S/c1-14-11(17)10-9(6-16)15-12(18-10)7-2-4-8(13)5-3-7/h2-6H,1H3,(H,14,17)
  • InChiKey: VCBLYFQXWZQUQN-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
Mycobacterium leprae conserved hypothetical protein 0.0113 0.1216 1
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1216 0.4469
Leishmania major DNA polymerase eta, putative 0.0039 0.0142 0.0032
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0135 0.0269
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0207 0.2554 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0924 0.2047
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0207 0.2554 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0177 0.0196
Loa Loa (eye worm) hypothetical protein 0.0124 0.1361 0.1631
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0177 0.0398
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.0142 0.0027
Echinococcus multilocularis Smad4 0.0041 0.0177 0.0364
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0135 0.0145
Onchocerca volvulus Huntingtin homolog 0.0124 0.1361 0.4512
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0135 0.047
Mycobacterium leprae Probable lipase LipE 0.0113 0.1216 1
Brugia malayi MH1 domain containing protein 0.0041 0.0177 0.0196
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0113 0.1216 0.1148
Loa Loa (eye worm) hypothetical protein 0.0033 0.0062 0.0056
Loa Loa (eye worm) MH2 domain-containing protein 0.0604 0.8266 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0135 0.0002
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0207 0.2554 1
Onchocerca volvulus 0.0238 0.2998 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0113 0.1216 0.273
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.0142 0.0027
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1216 0.3776
Brugia malayi hypothetical protein 0.0237 0.2992 0.3608
Schistosoma mansoni alkaline phosphatase 0.0161 0.1901 0.7425
Mycobacterium tuberculosis Conserved protein 0.0113 0.1216 0.1148
Trichomonas vaginalis esterase, putative 0.0113 0.1216 0.3776
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0135 0.0003
Brugia malayi Pre-SET motif family protein 0.0209 0.2584 0.3113
Loa Loa (eye worm) hypothetical protein 0.0038 0.0135 0.0145
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0177 0.0196
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Schistosoma mansoni serine/threonine protein kinase 0.0207 0.2554 1
Onchocerca volvulus 0.0113 0.1216 0.4024
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0283 0.0324
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0924 0.3579
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0135 0.0267
Brugia malayi hypothetical protein 0.0124 0.1361 0.1631
Onchocerca volvulus 0.005 0.0298 0.0947
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0135 0.0013
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.0142 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0135 0.0002
Mycobacterium ulcerans hypothetical protein 0.0113 0.1216 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0207 0.2554 0.5719
Echinococcus multilocularis mitogen activated protein kinase 0.0207 0.2554 0.5719
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.0142 0.0032
Echinococcus granulosus smad 0.0041 0.0177 0.0398
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Trypanosoma brucei DNA polymerase eta, putative 0.0039 0.0142 0.0032
Loa Loa (eye worm) inositol-1 0.0038 0.0135 0.0144
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Mycobacterium tuberculosis Probable lipase LipD 0.0113 0.1216 0.1148
Loa Loa (eye worm) hypothetical protein 0.0237 0.2992 0.3608
Onchocerca volvulus 0.0048 0.0281 0.0888
Echinococcus multilocularis dna polymerase kappa 0.0039 0.0142 0.0285
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0142 0.0072
Trichomonas vaginalis CMGC family protein kinase 0.0207 0.2554 0.8448
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0135 0.0002
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.2992 0.6707
Echinococcus granulosus tumor protein p63 0.0339 0.4454 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1361 0.1631
Brugia malayi beta-lactamase family protein 0.0113 0.1216 0.1455
Onchocerca volvulus 0.0113 0.1216 0.4024
Echinococcus granulosus intestinal type alkaline phosphatase 0.0161 0.1901 0.4267
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0113 0.1216 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0924 0.2075
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0113 0.1216 0.1455
Plasmodium vivax hypothetical protein, conserved 0.0113 0.1216 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0161 0.1901 0.4267
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0135 0.0468
Leishmania major hypothetical protein, conserved 0.0113 0.1216 0.4469
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1216 0.4728
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.0142 0.0285
Toxoplasma gondii ABC1 family protein 0.0113 0.1216 0.4728
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0924 0.3579
Brugia malayi beta-lactamase family protein 0.0113 0.1216 0.1455
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0161 0.1901 0.4247
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0062 0.0056
Schistosoma mansoni alkaline phosphatase 0.0161 0.1901 0.7425
Brugia malayi MH1 domain containing protein 0.0041 0.0177 0.0196
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0281 0.0321
Mycobacterium ulcerans lipase LipD 0.0113 0.1216 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Onchocerca volvulus 0.0113 0.1216 0.4024
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Brugia malayi hypothetical protein 0.0073 0.063 0.0744
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0636
Echinococcus multilocularis smad 0.0041 0.0177 0.0364
Mycobacterium ulcerans esterase/lipase LipP 0.0113 0.1216 1
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0135 0.0302
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.0924 0.2075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0283 0.0324
Schistosoma mansoni DNA polymerase eta 0.0039 0.0142 0.0498
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0135 0.0303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.0924 0.3579
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0207 0.2554 1
Echinococcus granulosus Smad4 0.0041 0.0177 0.0398
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Echinococcus granulosus dna polymerase eta 0.0039 0.0142 0.032
Trypanosoma cruzi hypothetical protein, conserved 0.0113 0.1216 0.4469
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0113 0.1216 0.4728
Entamoeba histolytica hypothetical protein 0.0073 0.063 1
Mycobacterium tuberculosis Probable esterase LipL 0.0113 0.1216 0.1148
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0016 0.0036
Trichomonas vaginalis set domain proteins, putative 0.0238 0.2998 1
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1216 0.3776
Brugia malayi MH2 domain containing protein 0.0041 0.0177 0.0196
Giardia lamblia DINP protein human, muc B family 0.0039 0.0142 0.003
Loa Loa (eye worm) beta-lactamase 0.0113 0.1216 0.1455
Schistosoma mansoni inositol monophosphatase 0.0038 0.0135 0.0468
Trypanosoma brucei hypothetical protein, conserved 0.0113 0.1216 0.4469
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0135 0.047
Echinococcus granulosus mitogen activated protein kinase 3 0.0207 0.2554 0.5735
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.0142 0.0072
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0142 0.0032
Loa Loa (eye worm) hypothetical protein 0.0039 0.0142 0.0153
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.0924 0.1101
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0135 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1216 0.3776
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0207 0.2554 0.3076
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.2992 0.6719
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0207 0.2554 1
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0142 0.0032
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0135 0.0003
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0207 0.2554 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.0142 0.0498
Echinococcus multilocularis dna polymerase eta 0.0039 0.0142 0.0285
Leishmania major DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Loa Loa (eye worm) hypothetical protein 0.0113 0.1216 0.1455
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.0142 0.0498
Brugia malayi MH2 domain containing protein 0.0604 0.8266 1
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0636
Mycobacterium tuberculosis Probable hydrolase 0.0113 0.1216 0.1148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.0924 0.2047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0113 0.1216 0.2704
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0142 0.0153
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.0142 0.032
Brugia malayi MAP kinase sur-1 0.0207 0.2554 0.3076
Trypanosoma cruzi DNA polymerase eta, putative 0.0039 0.0142 0.0032
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.0142 0.0153
Echinococcus multilocularis alkaline phosphatase 0.0161 0.1901 0.4247
Trichomonas vaginalis CMGC family protein kinase 0.0207 0.2554 0.8448
Schistosoma mansoni smad1 5 8 and 0.0041 0.0177 0.0636
Brugia malayi MH2 domain containing protein 0.0041 0.0177 0.0196
Schistosoma mansoni smad 0.0041 0.0177 0.0636
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0283 0.0324
Schistosoma mansoni hypothetical protein 0.0048 0.0281 0.1043
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0113 0.1216 0.1148
Brugia malayi beta-lactamase 0.0113 0.1216 0.1455
Mycobacterium tuberculosis Conserved protein 0.0113 0.1216 0.1148
Mycobacterium tuberculosis Conserved protein 0.0113 0.1216 0.1148
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0113 0.1216 0.1455
Schistosoma mansoni inositol monophosphatase 0.0038 0.0135 0.0468
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0161 0.1901 0.4267
Echinococcus multilocularis tumor protein p63 0.0339 0.4454 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0207 0.2554 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0281 0.1043
Echinococcus granulosus alkaline phosphatase 0.0161 0.1901 0.4267
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0135 0.0003
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.2584 0.3113
Trichomonas vaginalis CMGC family protein kinase 0.0207 0.2554 0.8448
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.0142 0.0032
Entamoeba histolytica hypothetical protein 0.0073 0.063 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0135 0.0269
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0135 0.0269
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0135 0.0303
Mycobacterium ulcerans beta-lactamase 0.0113 0.1216 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0113 0.1216 0.1148
Trichomonas vaginalis penicillin-binding protein, putative 0.0113 0.1216 0.3776
Loa Loa (eye worm) Smad1 0.0041 0.0177 0.0196
Brugia malayi Smad1 0.0041 0.0177 0.0196
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0177 0.0398
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0135 0.0003
Echinococcus granulosus dna polymerase kappa 0.0039 0.0142 0.032
Schistosoma mansoni hypothetical protein 0.0073 0.063 0.242
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0177 0.0364
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.063 0.1384
Giardia lamblia Kinase, CMGC MAPK 0.0207 0.2554 1
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.0142 0.0153
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.063 0.1415
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.0924 0.1101
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.0142 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0207 0.2554 1
Trichomonas vaginalis D-aminoacylase, putative 0.0113 0.1216 0.3776
Schistosoma mansoni hypothetical protein 0.0033 0.0062 0.0183
Mycobacterium tuberculosis Probable lipase LipE 0.0113 0.1216 0.1148
Echinococcus granulosus mitogen activated protein kinase 0.0207 0.2554 0.5735
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0161 0.1901 0.4247
Brugia malayi Inositol-1 0.0038 0.0135 0.0144
Entamoeba histolytica hypothetical protein 0.0073 0.063 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0283 0.0324
Loa Loa (eye worm) transcription factor SMAD2 0.0604 0.8266 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0177 0.0636
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.063 0.242
Schistosoma mansoni hypothetical protein 0.0084 0.0789 0.3044
Onchocerca volvulus Huntingtin homolog 0.0124 0.1361 0.4512
Trypanosoma brucei unspecified product 0.0039 0.0142 0.0032
Loa Loa (eye worm) hypothetical protein 0.005 0.0298 0.0342
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0177 0.0364
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0135 0.0303
Trichomonas vaginalis CMGC family protein kinase 0.0207 0.2554 0.8448
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0298 0.1113
Entamoeba histolytica hypothetical protein 0.0073 0.063 1
Schistosoma mansoni Smad4 0.0041 0.0177 0.0636
Trypanosoma brucei protein kinase, putative 0.0207 0.2554 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.0142 0.0032
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0161 0.1901 0.4247
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.0142 0.0158

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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