Detailed information for compound 731076

Basic information

Technical information
  • TDR Targets ID: 731076
  • Name: N-(2,4-dimethyl-6-nitrophenyl)-2-[(4-oxo-6-ph enyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
  • MW: 410.446 | Formula: C20H18N4O4S
  • H donors: 2 H acceptors: 6 LogP: 4.7 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1[N+](=O)[O-])C)CSc1nc(O)cc(n1)c1ccccc1
  • InChi: 1S/C20H18N4O4S/c1-12-8-13(2)19(16(9-12)24(27)28)22-18(26)11-29-20-21-15(10-17(25)23-20)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,26)(H,21,23,25)
  • InChiKey: CHMHAQYWFJATJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
  • N-(2,4-dimethyl-6-nitrophenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide
  • N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide
  • N-(2,4-dimethyl-6-nitro-phenyl)-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide
  • CBKinase1_024716
  • ZINC04756171
  • CBKinase1_012316
  • STK328746

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 Probable ClpP-like protease 0.0077 0.1687 0.6236
Loa Loa (eye worm) hypothetical protein 0.004 0.0466 0.1242
Schistosoma mansoni thyroid hormone receptor 0.0153 0.4247 0.4071
Leishmania major trypanothione reductase 0.0102 0.2527 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Echinococcus multilocularis chromobox protein 1 0.0072 0.1527 0.3116
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0569 1
Loa Loa (eye worm) thioredoxin reductase 0.0102 0.2527 1
Trichomonas vaginalis mercuric reductase, putative 0.0035 0.0296 0.1545
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0296 0.1172
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Echinococcus granulosus chromobox protein 1 0.0072 0.1527 0.3449
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0232 0.69 0.8882
Schistosoma mansoni chromobox protein 0.0072 0.1527 0.1269
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.08 0.0675
Mycobacterium tuberculosis Probable oxidoreductase 0.0258 0.7769 1
Echinococcus granulosus chromobox protein 1 0.0072 0.1527 0.3449
Treponema pallidum NADH oxidase 0.0035 0.0296 0.1755
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0296 0.1172
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0569 0.3419
Schistosoma mansoni thyroid hormone receptor 0.0153 0.4247 0.4071
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0466 0.7399
Brugia malayi Heterochromatin protein 1 0.0072 0.1527 0.5518
Plasmodium falciparum thioredoxin reductase 0.0035 0.0296 0.1172
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Plasmodium vivax thioredoxin reductase, putative 0.0102 0.2527 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0296 0.1172
Plasmodium vivax glutathione reductase, putative 0.0102 0.2527 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.08 0.1276
Plasmodium falciparum thioredoxin reductase 0.0102 0.2527 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0141 0.3865 1
Schistosoma mansoni chromobox protein 0.0072 0.1527 0.1269
Brugia malayi chromobox protein homolog 3 0.004 0.0466 0.0763
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 0.6677
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0296 0.1172
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0232 0.69 0.8837
Echinococcus granulosus peptidase Clp S14 family 0.005 0.08 0.1413
Echinococcus multilocularis chromobox protein 1 0.0072 0.1527 0.3116
Echinococcus granulosus thioredoxin glutathione reductase 0.0102 0.2527 0.625
Mycobacterium tuberculosis Probable dehydrogenase 0.0232 0.69 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0102 0.2527 0.2985
Echinococcus multilocularis thioredoxin glutathione reductase 0.0102 0.2527 0.5646
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0258 0.7769 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0296 0.1172
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1687 0.6677
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0232 0.69 0.8837
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.1527 0.5751
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0141 0.3865 0.9034
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1687 0.6677
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0232 0.69 0.8837
Toxoplasma gondii thioredoxin reductase 0.0102 0.2527 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.08 0.0675
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1687 0.3521
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0296 0.1172
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0569 0.3419
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0466 0.2714
Trypanosoma brucei trypanothione reductase 0.0102 0.2527 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0035 0.0296 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0232 0.69 0.8837
Brugia malayi glutathione reductase 0.0102 0.2527 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1527 1
Trypanosoma cruzi trypanothione reductase, putative 0.0102 0.2527 1
Plasmodium falciparum glutathione reductase 0.0035 0.0296 0.1172
Trichomonas vaginalis chromobox protein, putative 0.0072 0.1527 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.1687 0.1434
Schistosoma mansoni hypothetical protein 0.0141 0.3865 0.3678
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1687 0.2172
Loa Loa (eye worm) hypothetical protein 0.0077 0.1687 0.6431
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0258 0.7769 1
Plasmodium falciparum glutathione reductase 0.0102 0.2527 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0466 0.2714
Brugia malayi Thioredoxin reductase 0.0102 0.2527 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.08 0.103
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1687 0.3897
Mycobacterium tuberculosis Probable reductase 0.0232 0.69 0.8837
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0258 0.7769 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0153 0.4247 1
Loa Loa (eye worm) glutathione reductase 0.0102 0.2527 1
Trichomonas vaginalis glutathione reductase, putative 0.0035 0.0296 0.1545
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.1687 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1687 0.6677

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.