Detailed information for compound 731233

Basic information

Technical information
  • TDR Targets ID: 731233
  • Name: N-(4-acetylphenyl)-2-[(5-cyano-4-oxo-6-phenyl -1H-pyrimidin-2-yl)sulfanyl]acetamide
  • MW: 404.442 | Formula: C21H16N4O3S
  • H donors: 2 H acceptors: 6 LogP: 3.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(O)nc(nc1c1ccccc1)SCC(=O)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C21H16N4O3S/c1-13(26)14-7-9-16(10-8-14)23-18(27)12-29-21-24-19(15-5-3-2-4-6-15)17(11-22)20(28)25-21/h2-10H,12H2,1H3,(H,23,27)(H,24,25,28)
  • InChiKey: GGJKENJYMWXPFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide
  • N-(4-acetylphenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetamide
  • 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-ethanoylphenyl)ethanamide
  • ZINC02879040
  • CBKinase1_024457
  • STK211779
  • CBKinase1_012057

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
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0055 0.1182 0.2638
Brugia malayi Thioredoxin reductase 0.005 0.1041 0.2323
Echinococcus multilocularis zinc finger protein 0.0042 0.0773 0.0773
Loa Loa (eye worm) hypothetical protein 0.0138 0.3828 0.8359
Leishmania major hypothetical protein, conserved 0.0035 0.0561 0.3831
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1426 0.3151
Leishmania major cathepsin L-like protease 0.0063 0.1465 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.3081 0.4696
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0104 0.2746 0.4186
Schistosoma mansoni zinc finger protein 0.0042 0.0773 0.1707
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1426 0.3151
Mycobacterium ulcerans lipase LipD 0.0035 0.0561 0.1253
Brugia malayi Bromodomain containing protein 0.0078 0.1932 0.4313
Mycobacterium ulcerans hypothetical protein 0.0035 0.0561 0.1253
Trypanosoma brucei trypanothione reductase 0.005 0.1041 0.7103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Plasmodium vivax glutathione reductase, putative 0.005 0.1041 0.2323
Echinococcus multilocularis thyroid hormone receptor alpha 0.0144 0.4029 0.4029
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0504 0.0504
Brugia malayi beta-lactamase 0.0035 0.0561 0.1253
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0993 0.2193
Echinococcus multilocularis peptidase Clp (S14 family) 0.0104 0.2746 0.2746
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0561 0.0856
Loa Loa (eye worm) hypothetical protein 0.0158 0.448 1
Schistosoma mansoni hypothetical protein 0.003 0.0396 0.0874
Brugia malayi Probable ClpP-like protease 0.0158 0.448 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0033 0.0504 0.0504
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0561 0.3831
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0561 0.3831
Schistosoma mansoni zinc finger protein 0.003 0.0396 0.0874
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.448 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1426 0.3184
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.1465 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0561 0.0856
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0127 0.3486 0.5314
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0561 0.0561
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.4177 0.4177
Echinococcus granulosus zinc finger protein 0.0042 0.0773 0.0773
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.012 0.3257 0.3257
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1465 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0033 0.0504 0.1114
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0561 0.0856
Leishmania major cathepsin L-like protease 0.0063 0.1465 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Loa Loa (eye worm) bromodomain containing protein 0.0038 0.0654 0.0378
Brugia malayi glutathione reductase 0.005 0.1041 0.2323
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0561 0.5957
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0127 0.3486 0.7464
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0561 0.0856
Trypanosoma cruzi ISWI complex protein 0.003 0.0396 0.27
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0158 0.448 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0561 0.5957
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.3081 0.4696
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0104 0.2746 0.4186
Mycobacterium ulcerans beta-lactamase 0.0035 0.0561 0.1253
Brugia malayi TAR-binding protein 0.0062 0.1426 0.3184
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0561 0.124
Loa Loa (eye worm) hypothetical protein 0.0075 0.1824 0.332
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1426 0.3151
Brugia malayi Bromodomain containing protein 0.015 0.4205 0.9386
Plasmodium vivax thioredoxin reductase, putative 0.005 0.1041 0.2323
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0942 0.2103
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Schistosoma mansoni hypothetical protein 0.0035 0.0553 0.1221
Schistosoma mansoni bromodomain containing protein 0.0127 0.3479 0.7685
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0561 0.0856
Trypanosoma cruzi ISWI complex protein 0.003 0.0396 0.27
Loa Loa (eye worm) hypothetical protein 0.0087 0.2201 0.4269
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0683 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0158 0.448 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.3081 0.4696
Toxoplasma gondii hypothetical protein 0.0055 0.1182 0.2638
Schistosoma mansoni hypothetical protein 0.0133 0.3688 0.8147
Echinococcus granulosus fetal alzheimer antigen falz 0.0044 0.0844 0.0844
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3902 0.3902
Leishmania major cathepsin L-like protease 0.0063 0.1465 1
Loa Loa (eye worm) thioredoxin reductase 0.005 0.1041 0.1349
Schistosoma mansoni thyroid hormone receptor 0.0144 0.4029 0.8899
Brugia malayi hypothetical protein 0.0035 0.0553 0.1233
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0561 0.1253
Loa Loa (eye worm) RNA binding protein 0.0062 0.1426 0.2319
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0561 0.1253
Loa Loa (eye worm) glutathione reductase 0.005 0.1041 0.1349
Brugia malayi beta-lactamase family protein 0.0035 0.0561 0.1253
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0055 0.1182 0.1583
Onchocerca volvulus 0.0049 0.0993 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.3081 0.643
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0055 0.1182 0.2638
Schistosoma mansoni methyl-cpg binding protein mbd 0.0033 0.0504 0.1114
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.3081 0.4696
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0044 0.0844 0.0844
Trichomonas vaginalis esterase, putative 0.0035 0.0561 0.5957
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.3081 0.4696
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0942 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Toxoplasma gondii ABC1 family protein 0.0035 0.0561 0.1253
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0104 0.2746 0.5576
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0044 0.0844 0.1865
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0942 0.2103
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.2083 0.3971
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1426 0.3151
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0127 0.3486 0.5314
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Brugia malayi beta-lactamase family protein 0.0035 0.0561 0.1253
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0561 0.5957
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1426 0.2319
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0561 0.3831
Echinococcus granulosus methyl CpG binding domain protein 2 0.0033 0.0504 0.0504
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.3688 0.3688
Plasmodium falciparum glutathione reductase 0.005 0.1041 0.2323
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0561 0.0144
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0561 0.5957
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1465 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1426 0.3151
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0504 0.1114
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0561 0.5957
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0561 0.0561
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0561 0.1253
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0942 1
Brugia malayi RNA binding protein 0.0062 0.1426 0.3184
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1426 0.2319
Leishmania major trypanothione reductase 0.005 0.1041 0.7103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Echinococcus granulosus peptidase Clp S14 family 0.0104 0.2746 0.2746
Schistosoma mansoni hypothetical protein 0.004 0.0726 0.1603
Trypanosoma brucei ISWI complex protein 0.003 0.0396 0.27
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Mycobacterium tuberculosis Probable oxidoreductase 0.0127 0.3486 0.5314
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.1041 0.1041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0993 0.1228
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0504 0.0504
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0158 0.448 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.1673 0.1673
Mycobacterium tuberculosis Conserved protein 0.0035 0.0561 0.0856
Schistosoma mansoni thyroid hormone receptor 0.0144 0.4029 0.8899
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.3688 0.3688
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.1033 0.7054
Schistosoma mansoni peptidase Clp (S14 family) 0.0158 0.448 0.9896
Mycobacterium tuberculosis Probable reductase 0.0114 0.3081 0.4696
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0553 0.0553
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0504 0.1114
Loa Loa (eye worm) acetyltransferase 0.0149 0.4177 0.9239
Loa Loa (eye worm) hypothetical protein 0.0035 0.0561 0.0144
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1426 0.1426
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0561 0.0856
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.6561 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0055 0.1182 0.2638
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.1041 0.1586
Loa Loa (eye worm) beta-lactamase 0.0035 0.0561 0.0144
Plasmodium falciparum thioredoxin reductase 0.005 0.1041 0.2323
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0553 0.1221
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.1041 0.7103
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0561 0.0856
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.4177 0.9324
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0561 0.1253
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0553 0.0553
Echinococcus multilocularis tumor protein p63 0.0332 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0942 0.2103
Toxoplasma gondii thioredoxin reductase 0.005 0.1041 0.2323
Brugia malayi PHD-finger family protein 0.0052 0.1103 0.2462
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0158 0.448 0.448
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0942 0.0942
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.1673 0.1673
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0561 0.0856
Loa Loa (eye worm) PHD-finger family protein 0.004 0.0726 0.0558
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0561 0.124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.1465 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.1426 0.1426
Leishmania major hypothetical protein, conserved 0.003 0.0396 0.27
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0683 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0158 0.448 0.448
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0158 0.448 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.129 0.8805
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.012 0.3257 0.3257
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.4177 0.9228
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.1041 0.1041
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.1465 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0561 0.0856
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0683 0.1526

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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