Detailed information for compound 845208

Basic information

Technical information
  • TDR Targets ID: 845208
  • Name: 5-chloro-2-ethylsulfanyl-N-[4-(methyl-(phenyl methyl)sulfamoyl)phenyl]pyrimidine-4-carboxam ide
  • MW: 476.999 | Formula: C21H21ClN4O3S2
  • H donors: 1 H acceptors: 5 LogP: 3.85 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1ncc(c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C)Cl
  • InChi: 1S/C21H21ClN4O3S2/c1-3-30-21-23-13-18(22)19(25-21)20(27)24-16-9-11-17(12-10-16)31(28,29)26(2)14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3,(H,24,27)
  • InChiKey: BVHPKTSLMSVTQO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-2-(ethylthio)-N-[4-(methyl-(phenylmethyl)sulfamoyl)phenyl]-4-pyrimidinecarboxamide
  • N-[4-(benzyl-methyl-sulfamoyl)phenyl]-5-chloro-2-(ethylthio)pyrimidine-4-carboxamide

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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0334 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.2502 0.2263
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0334 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Brugia malayi glutathione reductase 0.0048 0.2502 0.2502
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0334 0.0076
Leishmania major cathepsin L-like protease 0.0017 0.0334 0.0076
Plasmodium falciparum thioredoxin reductase 0.0048 0.2502 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.7655 1
Leishmania major cathepsin L-like protease 0.0064 0.3673 1
Plasmodium vivax glutathione reductase, putative 0.0048 0.2502 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.3673 1
Schistosoma mansoni tyrosine kinase 0.0049 0.2614 0.2379
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.6801 0.8837
Loa Loa (eye worm) TK/EGFR protein kinase 0.0154 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.3673 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.2502 0.2242
Brugia malayi Thioredoxin reductase 0.0048 0.2502 0.2502
Onchocerca volvulus 0.0017 0.0334 0.5
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0019 0.0476 1
Plasmodium vivax vivapain-2 0.0017 0.0334 0.0116
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0995 0.0708
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0019 0.0476 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Leishmania major cathepsin L-like protease 0.0017 0.0334 0.0076
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0334 0.0026
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.3455 0.3247
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Onchocerca volvulus 0.0017 0.0334 0.5
Chlamydia trachomatis glutamine binding protein 0.0019 0.0476 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.3217 0.3001
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0334 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0309 0.0309
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.2502 0.2985
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0521 0.0193
Plasmodium falciparum glutathione reductase 0.0048 0.2502 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3455 1
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.2502 0.6518
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.6801 0.8837
Loa Loa (eye worm) TK/INSR protein kinase 0.0049 0.2614 0.2359
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.2502 0.2242
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3455 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0019 0.0476 0.0227
Loa Loa (eye worm) CYP4Cod1 0.002 0.0521 0.0193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.3673 1
Brugia malayi Protein kinase domain containing protein 0.0049 0.2614 0.2614
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0334 0.0116
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0334 0.0026
Toxoplasma gondii cathepsin CPL 0.0017 0.0334 0.0081
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0334 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.7618 0.7536
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Schistosoma mansoni glutamate receptor NMDA 0.0062 0.3521 0.3315
Schistosoma mansoni tyrosine kinase 0.0049 0.2614 0.2379
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0309 0.5
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0334 0.0026
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0334 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.3217 0.9244
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0334 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Schistosoma mansoni tyrosine kinase 0.0083 0.4978 0.4818
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0334 0.0026
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0521 0.0631
Trypanosoma brucei cytochrome P450, putative 0.002 0.0521 0.0631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0334 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Brugia malayi Cytochrome P450 family protein 0.003 0.1253 0.1253
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0995 0.0708
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0058 0.3217 0.3001
Onchocerca volvulus 0.0017 0.0334 0.5
Echinococcus multilocularis 0.0048 0.2505 0.2267
Brugia malayi Cytochrome P450 family protein 0.002 0.0521 0.0521
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.3673 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Onchocerca volvulus 0.0017 0.0334 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Echinococcus granulosus epidermal growth factor receptor 0.0083 0.4978 0.4818
Leishmania major cytochrome p450-like protein 0.002 0.0521 0.0631
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.328 0.8832
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.7618 0.7536
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0058 0.3217 0.3001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0309 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0995 0.0708
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.2704 0.712
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.3217 0.3217
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0334 0.0076
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0334 0.0334
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0058 0.3217 0.9244
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.7655 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.2502 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0334 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0062 0.3521 0.3315
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0334 0.0026
Echinococcus granulosus glutamate NMDA receptor subunit 0.0062 0.3521 0.3315
Mycobacterium tuberculosis Probable reductase 0.0109 0.6801 0.8837
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.3455 0.3247
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0521 0.0193
Leishmania major cathepsin L-like protease 0.0064 0.3673 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0049 0.2614 0.2379
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Echinococcus granulosus epidermal growth factor receptor 0.0154 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Schistosoma mansoni tyrosine kinase 0.0154 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0334 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Leishmania major cathepsin L-like protease 0.0017 0.0334 0.0076
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.7655 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.3455 0.9351
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0521 0.0631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0334 0.0334
Echinococcus multilocularis epidermal growth factor receptor 0.0083 0.4978 0.4818
Echinococcus granulosus cathepsin l1 0.0017 0.0334 0.0026
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0334 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3455 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0334 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.2502 0.2263
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.2943 0.2699
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0334 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.6801 0.8837
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0019 0.0476 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0058 0.3217 0.8644
Brugia malayi Cytochrome P450 family protein 0.002 0.0521 0.0521
Leishmania major cathepsin L-like protease 0.0017 0.0334 0.0076
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.3455 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.3673 1
Schistosoma mansoni tyrosine kinase 0.0082 0.4916 0.4754
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Echinococcus multilocularis epidermal growth factor receptor 0.0154 1 1
Schistosoma mansoni tyrosine kinase 0.0082 0.4916 0.4754
Leishmania major cathepsin L-like protease 0.0017 0.0334 0.0076
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0083 0.4978 0.4818
Brugia malayi MH2 domain containing protein 0.012 0.7618 0.7618
Echinococcus multilocularis cysteine protease 0.0017 0.0334 0.0026
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0058 0.3217 0.3959
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.3455 0.4283
Onchocerca volvulus 0.0017 0.0334 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.6801 0.8837
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.3455 0.3247
Leishmania major cathepsin L-like protease 0.0064 0.3673 1
Trypanosoma brucei trypanothione reductase 0.0048 0.2502 0.6518
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.3455 0.3247
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0521 0.0675
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0334 1
Echinococcus multilocularis cysteine protease 0.0017 0.0334 0.0026
Onchocerca volvulus 0.0017 0.0334 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.1253 0.0951
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0334 0.0116
Schistosoma mansoni tyrosine kinase 0.0082 0.4916 0.4754
Toxoplasma gondii thioredoxin reductase 0.0048 0.2502 0.697
Schistosoma mansoni tyrosine kinase 0.0083 0.4978 0.4818
Onchocerca volvulus 0.0017 0.0334 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0049 0.2614 0.2379
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0019 0.0476 0.0531
Leishmania major trypanothione reductase 0.0048 0.2502 0.6518
Echinococcus granulosus insulin receptor 0.0049 0.2614 0.2379
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.7655 1
Plasmodium vivax vivapain-2 0.0017 0.0334 0.0116
Echinococcus multilocularis insulin receptor 0.0049 0.2614 0.2379
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.6801 0.8837
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0334 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0309 0.5

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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