Detailed information for compound 1797407

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.412 | Formula: C18H18N2O4S
  • H donors: 2 H acceptors: 3 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)c(=O)c(co2)CNCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C18H18N2O4S/c1-12-2-7-17-16(8-12)18(21)14(11-24-17)10-20-9-13-3-5-15(6-4-13)25(19,22)23/h2-8,11,20H,9-10H2,1H3,(H2,19,22,23)
  • InChiKey: KWQRNQKSKUSLBR-UHFFFAOYSA-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) dihydrofolate reductase 0.018 1 1
Leishmania major sir2-family protein-like protein 0.0034 0.1357 0.1971
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0034 0.1357 0.1971
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Echinococcus granulosus death domain containing protein 0.0058 0.2789 0.2789
Plasmodium falciparum phd finger protein, putative 0.003 0.1097 0.3061
Schistosoma mansoni hypothetical protein 0.003 0.1097 0.087
Trypanosoma brucei SIR2-like protein 4, putative 0.0034 0.1357 0.2535
Brugia malayi Immunoglobulin I-set domain containing protein 0.0058 0.2789 0.2783
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0069 0.3414 0.6455
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1787 0.1787
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1787 0.1787
Schistosoma mansoni chromatin regulatory protein sir2 0.0034 0.1357 0.1136
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Schistosoma mansoni cpg binding protein 0.0028 0.0998 0.0768
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0034 0.1357 0.1971
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0069 0.3414 0.9607
Schistosoma mansoni cpg binding protein 0.003 0.1093 0.0865
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0453 0.0209
Brugia malayi jmjC domain containing protein 0.0097 0.5102 0.5099
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0144 0.7912 0.7912
Giardia lamblia Sirtuin type 2 0.0034 0.1357 0.1212
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0089 0.4605 0.4605
Onchocerca volvulus Alhambra homolog 0.003 0.1097 0.0133
Brugia malayi transcriptional regulator, Sir2 family protein 0.0034 0.1357 0.1351
Chlamydia trachomatis dihydrofolate reductase 0.018 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0144 0.7912 0.791
Loa Loa (eye worm) hypothetical protein 0.0051 0.2355 0.2349
Echinococcus multilocularis dna polymerase eta 0.0019 0.0453 0.0453
Giardia lamblia Transcriptional regulator, Sir2 family 0.0071 0.3553 0.4156
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0249 0.0249
Brugia malayi serine/threonine-protein kinase plk-2 0.0096 0.504 0.5037
Brugia malayi jmjC domain containing protein 0.0037 0.1562 0.1556
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Onchocerca volvulus 0.0154 0.846 1
Echinococcus multilocularis cpg binding protein 0.003 0.1093 0.1093
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0071 0.3553 0.6759
Schistosoma mansoni chromatin regulatory protein sir2 0.0071 0.3553 0.3388
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.504 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0034 0.1357 0.1357
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0453 0.0702
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0154 0.846 0.8459
Loa Loa (eye worm) hypothetical protein 0.0015 0.0249 0.0242
Brugia malayi Protein kinase domain containing protein 0.0058 0.2807 0.2802
Mycobacterium ulcerans NAD-dependent deacetylase 0.0071 0.3553 0.3247
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Trypanosoma brucei unspecified product 0.0019 0.0453 0.0702
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0144 0.7912 0.7912
Schistosoma mansoni ankyrin 23/unc44 0.0058 0.2789 0.2604
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.7912 1
Mycobacterium ulcerans Sir2-like regulatory protein 0.0034 0.1357 0.0947
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0058 0.2789 0.2604
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0453 0.0702
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0089 0.4605 0.4605
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0058 0.2789 0.2789
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.1562 0.1562
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.5102 0.5102
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.5102 0.5102
Trypanosoma cruzi polo-like protein kinase, putative 0.0096 0.504 1
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0034 0.1357 0.3796
Schistosoma mansoni chromatin regulatory protein sir2 0.0034 0.1357 0.1136
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0034 0.1357 0.1357
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0071 0.3553 0.4156
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.1468 0.1468
Schistosoma mansoni chromatin regulatory protein sir2 0.0034 0.1357 0.1136
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0071 0.3553 0.6986
Leishmania major silent information regulator 2, putative 0.0034 0.1357 0.1971
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0453 0.0209
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0034 0.1357 0.1357
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0071 0.3553 0.4156
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0034 0.1357 0.1357
Loa Loa (eye worm) transcriptional regulator 0.0034 0.1357 0.1351
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.1097 0.1097
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0034 0.1357 0.1212
Giardia lamblia Hypothetical protein 0.0034 0.1357 0.1212
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0071 0.3553 0.6759
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0034 0.1357 0.1357
Loa Loa (eye worm) PHD-finger family protein 0.003 0.1097 0.1091
Loa Loa (eye worm) transcriptional regulator 0.0034 0.1357 0.1351
Loa Loa (eye worm) hypothetical protein 0.003 0.1097 0.1091
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0058 0.2789 0.2789
Loa Loa (eye worm) hypothetical protein 0.011 0.5891 0.5889
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Schistosoma mansoni dihydrofolate reductase 0.018 1 1
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0071 0.3553 1
Loa Loa (eye worm) sirtuin 4 0.0034 0.1357 0.1351
Schistosoma mansoni cpg binding protein 0.003 0.1093 0.0865
Trypanosoma brucei polo-like protein kinase 0.0096 0.504 1
Echinococcus multilocularis dihydrofolate reductase 0.018 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2221 0.2215
Loa Loa (eye worm) hypothetical protein 0.0019 0.0453 0.0447
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.018 1 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0034 0.1357 0.1212
Schistosoma mansoni tumor necrosis factor receptor related 0.0089 0.4605 0.4467
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0058 0.2789 0.2783
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.216 0.2289
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.7912 1
Brugia malayi hypothetical protein 0.0154 0.846 0.8459
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.018 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.1097 0.1097
Toxoplasma gondii histone deacetylase SIR2 0.0071 0.3553 1
Toxoplasma gondii histone deacetylase SIR2-like 0.0034 0.1357 0.1059
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0034 0.1357 0.1212
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0034 0.1357 0.1971
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Loa Loa (eye worm) hypothetical protein 0.0049 0.2221 0.2215
Brugia malayi CXXC zinc finger family protein 0.0028 0.0998 0.0992
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1562 0.1346
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0089 0.4605 0.4605
Echinococcus granulosus dna polymerase kappa 0.0019 0.0453 0.0453
Echinococcus granulosus peregrin 0.003 0.1097 0.1097
Echinococcus granulosus dna polymerase eta 0.0019 0.0453 0.0453
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0096 0.504 0.504
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.7912 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0453 0.0453
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0071 0.3553 0.6759
Echinococcus granulosus GPCR family 2 0.0015 0.0249 0.0249
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0071 0.3553 0.3247
Schistosoma mansoni netrin receptor unc5 0.0058 0.2789 0.2604
Loa Loa (eye worm) hypothetical protein 0.0058 0.2789 0.2783
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0453 0.0702
Echinococcus granulosus Ankyrin 0.0058 0.2789 0.2789
Echinococcus multilocularis chromatin regulatory protein sir2 0.0034 0.1357 0.1357
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1308 0.1302
Loa Loa (eye worm) transcriptional regulator 0.0034 0.1357 0.1351
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0249 0.0249
Giardia lamblia Kinase, PLK 0.0096 0.504 0.615
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0249 0.0242
Loa Loa (eye worm) hypothetical protein 0.0033 0.1308 0.1302
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0453 0.0453
Schistosoma mansoni chromatin regulatory protein sir2 0.0034 0.1357 0.1136
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0325 0.0078
Echinococcus granulosus chromatin regulatory protein sir2 0.0034 0.1357 0.1357
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2221 0.2215
Schistosoma mansoni hypothetical protein 0.0033 0.1308 0.1086
Echinococcus multilocularis GPCR, family 2 0.0015 0.0249 0.0249
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0034 0.1357 0.1971
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.018 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0453 0.0447
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.504 0.4913
Entamoeba histolytica serine/threonine protein kinase, putative 0.0096 0.504 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.2789 0.2783
Schistosoma mansoni chromatin regulatory protein sir2 0.0034 0.1357 0.1136
Brugia malayi Death domain containing protein 0.0058 0.2789 0.2783
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0453 0.0702
Echinococcus multilocularis peregrin 0.003 0.1097 0.1097
Giardia lamblia PHD finger protein 15 0.003 0.1097 0.0863
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0144 0.7912 1
Entamoeba histolytica hypothetical protein, conserved 0.0034 0.1357 0.1971
Echinococcus granulosus dihydrofolate reductase 0.018 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0069 0.3414 0.6704
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0034 0.1357 0.1971
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0034 0.1357 0.1212
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0249 0.0249
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0249 0.0242
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0453 0.0453
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0069 0.3414 0.6455
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0071 0.3553 0.6759
Onchocerca volvulus Netrin receptor homolog 0.0058 0.2789 0.2399
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0071 0.3553 0.4156
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.2972 0.2967
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2221 0.2215
Brugia malayi NAD-dependent deacetylase SIRT1 0.0144 0.7912 0.791
Schistosoma mansoni hypothetical protein 0.0058 0.2789 0.2604
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Brugia malayi Uncoordinated protein 44 0.0058 0.2789 0.2783
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0034 0.1357 0.2535
Schistosoma mansoni kinase 0.0049 0.2236 0.2037
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.1562 0.1556
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0089 0.4605 0.4605
Trichomonas vaginalis CAMK family protein kinase 0.0096 0.504 0.615
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0453 0.0447
Onchocerca volvulus Serine\/threonine kinase homolog 0.0096 0.504 0.5417
Echinococcus multilocularis netrin receptor unc 5 0.0058 0.2789 0.2789
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0453 0.0702
Echinococcus multilocularis Ankyrin 0.0058 0.2789 0.2789
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0069 0.3414 0.9607
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.042 0.0413
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0096 0.504 1
Schistosoma mansoni jumonji domain containing protein 0.0077 0.3917 0.3762
Brugia malayi transcriptional regulator, Sir2 family protein 0.0034 0.1357 0.1351
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0453 0.0447
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0144 0.7912 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0249 0.0242
Schistosoma mansoni DNA polymerase eta 0.0019 0.0453 0.0209
Brugia malayi PHD-finger family protein 0.003 0.1097 0.1091
Plasmodium vivax NAD-dependent deacetylase, putative 0.0071 0.3553 1
Plasmodium vivax hypothetical protein, conserved 0.003 0.1097 0.3061
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0096 0.504 0.5037
Brugia malayi Dihydrofolate reductase 0.018 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0998 0.0992
Brugia malayi transcriptional regulator, Sir2 family protein 0.0034 0.1357 0.1351
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0034 0.1357 0.1357
Brugia malayi Bromodomain containing protein 0.003 0.1097 0.1091
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2484 0.5647
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.2861 0.2678
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.1562 0.1346
Plasmodium vivax hypothetical protein, conserved 0.0034 0.1357 0.3796
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.216 0.2289
Echinococcus granulosus cpg binding protein 0.003 0.1093 0.1093
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0096 0.504 0.504
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0069 0.3414 0.9433
Schistosoma mansoni chromatin regulatory protein sir2 0.0144 0.7912 0.7858
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.1097 0.087
Echinococcus granulosus netrin receptor unc 5 0.0058 0.2789 0.2789

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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