Detailed information for compound 879671

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.218 | Formula: C13H12Cl2N2O2S
  • H donors: 1 H acceptors: 2 LogP: 3.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)c1csc(n1)c1cccc(c1Cl)Cl
  • InChi: 1S/C13H12Cl2N2O2S/c1-19-6-5-16-12(18)10-7-20-13(17-10)8-3-2-4-9(14)11(8)15/h2-4,7H,5-6H2,1H3,(H,16,18)
  • InChiKey: MEYFEGGVEZFFFS-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 Protein kinase domain containing protein 0.0083 0.0015 0.0015
Loa Loa (eye worm) TK/FAK protein kinase 0.0804 0.0712 0.0712
Trypanosoma brucei protein kinase, putative 0.0081 0.0013 0.0013
Echinococcus multilocularis discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Echinococcus granulosus tyrosine kinase 0.0083 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.4549 0.4331 0.4331
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0117 0.0048 0.0048
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.0252 1
Toxoplasma gondii PA14 domain-containing protein 0.0152 0.0081 0.0187
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0275 0.0201 0.0201
Brugia malayi SH2 domain containing protein 0.0083 0.0015 0.0015
Echinococcus granulosus tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Trypanosoma cruzi cytochrome P450, putative 0.0103 0.0034 0.0034
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0036 0.0036
Echinococcus multilocularis discoidin domain receptor 0.0152 0.0081 0.0081
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Trichomonas vaginalis set domain proteins, putative 0.0266 0.0192 0.6478
Schistosoma mansoni nephrin 0.0079 0.0011 0.0079
Schistosoma mansoni tyrosine kinase 0.0126 0.0057 0.04
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0036 0.0036
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0758 0.0667 0.0667
Echinococcus multilocularis tyrosine protein kinase shark 0.0083 0.0015 0.0015
Entamoeba histolytica protein kinase, putative 0.0088 0.002 0.0277
Echinococcus multilocularis tyrosine protein kinase HCK 0.0187 0.0115 0.0115
Brugia malayi Cytochrome P450 family protein 0.0103 0.0034 0.0034
Entamoeba histolytica protein kinase, putative 0.0187 0.0115 0.4282
Echinococcus granulosus NCK adaptor protein 0.0088 0.002 0.002
Brugia malayi Pre-SET motif family protein 0.0234 0.016 0.016
Echinococcus granulosus discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Loa Loa (eye worm) CYP4Cod1 0.0103 0.0034 0.0034
Brugia malayi Tyrosine-protein kinase abl-1 0.07 0.0611 0.0611
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0083 0.0015 0.0015
Loa Loa (eye worm) SRC-1 0.0275 0.0201 0.0201
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0079 0.0011 0.0011
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0081 0.0013 0.0013
Giardia lamblia Fructose-bisphosphate aldolase 0.0328 0.0252 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Echinococcus granulosus tyrosine protein kinase Lyn 0.0318 0.0242 0.0242
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0275 0.0201 0.0201
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0152 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0104 0.0036 0.0036
Schistosoma mansoni vesicular amine transporter 0.0079 0.0011 0.0079
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0079 0.0011 0.0079
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0232 0.0158 0.0158
Echinococcus granulosus protein tyrosine kinase 0.0795 0.0703 0.0703
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0004 0.0004
Leishmania major cytochrome p450-like protein 0.0103 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Loa Loa (eye worm) cytochrome P450 family protein 0.0103 0.0034 0.0034
Brugia malayi Protein kinase domain containing protein 0.0083 0.0015 0.0015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 1.0416 1 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0081 0.0013 0.003
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0152 0.0081 0.9058
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Echinococcus multilocularis discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Schistosoma mansoni protein kinase 0.0081 0.0013 0.0091
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.2856 0.2694 0.2694
Loa Loa (eye worm) hypothetical protein 0.0611 0.0525 0.0525
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.009 1
Onchocerca volvulus 0.0087 0.0018 0.0034
Brugia malayi Protein kinase domain containing protein 0.0083 0.0015 0.0015
Echinococcus granulosus c src tyrosine kinase 0.0126 0.0057 0.0057
Toxoplasma gondii hypothetical protein 0.4549 0.4331 1
Schistosoma mansoni tyrosine kinase 0.0083 0.0015 0.0103
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0079 0.0011 0.0079
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0232 0.0158 0.0158
Schistosoma mansoni discoidin domain receptor 0.0152 0.0081 0.0571
Trypanosoma brucei cytochrome P450, putative 0.0103 0.0034 0.0034
Brugia malayi Cytochrome P450 family protein 0.024 0.0166 0.0166
Loa Loa (eye worm) TK/DDR protein kinase 0.1096 0.0994 0.0994
Schistosoma mansoni growth factor receptor-bound protein 0.0088 0.002 0.0142
Echinococcus granulosus tyrosine kinase 0.0232 0.0158 0.0158
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Treponema pallidum fructose-bisphosphate aldolase 0.0328 0.0252 0.5
Echinococcus granulosus c-Jun N-terminal kinases 0.0758 0.0667 0.0667
Echinococcus multilocularis nuclear receptor 2C2 associated protein 0.0152 0.0081 0.0081
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0103 0.0034 0.3843
Schistosoma mansoni discoidin domain receptor 0.0152 0.0081 0.0571
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0088 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0088 0.002 0.002
Toxoplasma gondii F5/8 type C domain-containing protein 0.0152 0.0081 0.0187
Plasmodium falciparum LCCL domain-containing protein 0.0152 0.0081 1
Schistosoma mansoni tyrosine kinase 0.0126 0.0057 0.04
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 1.0416 1 1
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0083 0.0015 0.0071
Toxoplasma gondii F5/8 type C domain-containing protein 0.0152 0.0081 0.0187
Echinococcus granulosus tyrosine protein kinase Src42A 0.0275 0.0201 0.0201
Trypanosoma cruzi cytochrome P450, putative 0.0103 0.0034 0.0034
Brugia malayi Protein kinase domain containing protein 0.0083 0.0015 0.0015
Leishmania major protein kinase, putative 0.0081 0.0013 0.0013
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0275 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0083 0.0015 0.0015
Schistosoma mansoni hypothetical protein 0.0071 0.0004 0.0025
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0081 0.0013 0.0013
Brugia malayi Cytochrome P450 family protein 0.0103 0.0034 0.0034
Echinococcus multilocularis discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Schistosoma mansoni tyrosine kinase 0.0275 0.0201 0.1412
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.4549 0.4331 0.4331
Echinococcus granulosus tyrosine protein kinase HCK 0.0187 0.0115 0.0115
Loa Loa (eye worm) TK protein kinase 0.0232 0.0158 0.0158
Echinococcus granulosus tyrosine protein kinase shark 0.0083 0.0015 0.0015
Echinococcus granulosus tyrosine protein kinase Blk 0.0232 0.0158 0.0158
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0083 0.0015 0.0015
Echinococcus granulosus Coagulation factor 5 8 type C terminal 0.0152 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0152 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.1096 0.0994 0.0994
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.009 1
Loa Loa (eye worm) hypothetical protein 0.4549 0.4331 0.4331
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0081 0.0013 0.0013
Echinococcus granulosus discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Echinococcus multilocularis protein tyrosine kinase 0.0795 0.0703 0.0703
Schistosoma mansoni nck2/grb4 0.0088 0.002 0.0142
Echinococcus granulosus roundabout 2 0.0079 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.4549 0.4331 0.4331
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 1.0416 1 1
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0152 0.0081 0.9058
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0126 0.0057 0.0057
Schistosoma mansoni btb and poz domain-containing protein 0.0152 0.0081 0.0571
Toxoplasma gondii F5/8 type C domain-containing protein 0.0152 0.0081 0.0187
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0088 0.002 0.002
Echinococcus granulosus activin receptor type 0.0081 0.0013 0.0013
Echinococcus multilocularis mitogen activated protein kinase 14 1.0416 1 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0275 0.0201 0.0201
Brugia malayi Sex muscle abnormal protein 5 0.0088 0.002 0.002
Echinococcus multilocularis activin receptor type 0.0081 0.0013 0.0013
Echinococcus granulosus mitogen activated protein kinase 14 1.0416 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 1.0416 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Loa Loa (eye worm) hypothetical protein 0.1209 0.1103 0.1103
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0194 0.0122 0.0122
Brugia malayi Stress-activated protein kinase jnk-1 0.0758 0.0667 0.0667
Echinococcus multilocularis mitogen activated protein kinase 14 1.0416 1 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0232 0.0158 0.0158
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Schistosoma mansoni tyrosine kinase 0.0795 0.0703 0.4948
Brugia malayi Variant SH3 domain containing protein 0.0088 0.002 0.002
Schistosoma mansoni tyrosine kinase 0.0275 0.0201 0.1412
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0275 0.0201 0.0201
Loa Loa (eye worm) hypothetical protein 0.0152 0.0081 0.0081
Schistosoma mansoni cell adhesion molecule 0.0079 0.0011 0.0079
Echinococcus granulosus tyrosine protein kinase Srms 0.0083 0.0015 0.0015
Echinococcus multilocularis tyrosine protein kinase Srms 0.0232 0.0158 0.0158
Schistosoma mansoni serine/threonine protein kinase 0.0758 0.0667 0.4698
Echinococcus multilocularis mitogen activated protein kinase 11 1.0416 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0088 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0071 0.0004 0.0004
Echinococcus multilocularis tyrosine protein kinase ABL1 0.1582 0.1464 0.1464
Trypanosoma brucei mitogen-activated protein kinase 3, putative 1.0416 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.0926 0.083 0.083
Brugia malayi hypothetical protein 0.0079 0.0011 0.0011
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0081 0.0013 0.0013
Brugia malayi Immunoglobulin I-set domain containing protein 0.0117 0.0048 0.0048
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0126 0.0057 0.0057
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0234 0.016 0.016
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Echinococcus granulosus tyrosine protein kinase ABL1 0.1582 0.1464 0.1464
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0088 0.002 0.0142
Echinococcus granulosus tyrosine protein kinase Src42A 0.0194 0.0122 0.0122
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Echinococcus multilocularis roundabout 2 0.0079 0.0011 0.0011
Plasmodium vivax LCCL domain-containing protein 0.0152 0.0081 0.5
Schistosoma mansoni septate junction protein 0.0152 0.0081 0.0571
Brugia malayi Protein kinase domain containing protein 0.0083 0.0015 0.0015
Schistosoma mansoni serine/threonine protein kinase 0.0082 0.0014 0.0095
Brugia malayi Immunoglobulin I-set domain containing protein 0.0079 0.0011 0.0011
Brugia malayi Fibronectin type III domain containing protein 0.0079 0.0011 0.0011
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0081 0.0013 0.0013
Loa Loa (eye worm) TK protein kinase 0.0187 0.0115 0.0115
Schistosoma mansoni tyrosine kinase 0.0083 0.0015 0.0103
Echinococcus granulosus discoidin domain receptor 0.1209 0.1103 0.1103
Echinococcus granulosus growth factor receptor bound protein 2 0.0088 0.002 0.002
Brugia malayi Variant SH3 domain containing protein 0.0088 0.002 0.002
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0079 0.0011 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0275 0.0201 0.0201
Schistosoma mansoni protein kinase 0.0081 0.0013 0.0091
Echinococcus granulosus tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Echinococcus granulosus tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Brugia malayi SRC-1 0.0275 0.0201 0.0201
Schistosoma mansoni hypothetical protein 0.0152 0.0081 0.0571
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0036 0.0036
Brugia malayi hypothetical protein 0.0083 0.0015 0.0015
Echinococcus multilocularis NCK adaptor protein 0.0088 0.002 0.002
Echinococcus multilocularis mitogen activated protein kinase 11 1.0416 1 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Echinococcus multilocularis c src tyrosine kinase 0.0126 0.0057 0.0057
Echinococcus granulosus twitchin 0.0122 0.0053 0.0053
Loa Loa (eye worm) cytochrome P450 family protein 0.0103 0.0034 0.0034
Brugia malayi Protein kinase domain containing protein 0.1247 0.114 0.114
Schistosoma mansoni tyrosine kinase 0.1537 0.142 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Echinococcus multilocularis tyrosine protein kinase Abl 0.07 0.0611 0.0611
Echinococcus granulosus Immunoglobulin 0.0079 0.0011 0.0011
Echinococcus granulosus mitogen activated protein kinase 11 1.0416 1 1
Schistosoma mansoni adapter molecule crk 0.0088 0.002 0.0142
Echinococcus granulosus tyrosine protein kinase Src64B 0.0275 0.0201 0.0201
Loa Loa (eye worm) TK/ABL protein kinase 0.1582 0.1464 0.1464
Schistosoma mansoni growth factor receptor-bound protein 0.0088 0.002 0.0142
Echinococcus granulosus defective proboscis extension response 0.0079 0.0011 0.0011
Echinococcus multilocularis tyrosine kinase 0.0083 0.0015 0.0015
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 0.0252 1
Onchocerca volvulus 0.1247 0.114 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0275 0.0201 0.0201
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0275 0.0201 0.0201
Echinococcus multilocularis Immunoglobulin 0.0079 0.0011 0.0011
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Loa Loa (eye worm) TK/FER protein kinase 0.0083 0.0015 0.0015
Onchocerca volvulus 0.0266 0.0192 0.1573
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.009 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 0.0252 1
Brugia malayi protein-tyrosine kinase 0.0232 0.0158 0.0158
Brugia malayi SH2 domain containing protein 0.0083 0.0015 0.0015
Brugia malayi Protein kinase domain containing protein 0.0804 0.0712 0.0712
Plasmodium vivax LCCL domain-containing protein 0.0152 0.0081 0.5
Echinococcus multilocularis Immunoglobulin 0.0079 0.0011 0.0011
Echinococcus granulosus discoidin domain containing receptor 2 0.0152 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0758 0.0667 0.0667
Schistosoma mansoni dock 0.0152 0.0081 0.0571
Onchocerca volvulus 0.0152 0.0081 0.0591
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0126 0.0057 0.04
Schistosoma mansoni protein kinase 0.0081 0.0013 0.0091
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0088 0.002 0.0277
Plasmodium falciparum LCCL domain-containing protein 0.0152 0.0081 1
Echinococcus multilocularis neuroglian 0.0079 0.0011 0.0011
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0275 0.0201 0.0201
Loa Loa (eye worm) cytochrome P450 family protein 0.024 0.0166 0.0166
Echinococcus granulosus neuroglian 0.0079 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0079 0.0011 0.0011

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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