Detailed information for compound 224822

Basic information

Technical information
  • TDR Targets ID: 224822
  • Name: 6-ethyl-2-sulfanylidene-5-tetradecyl-1H-pyrim idin-4-one
  • MW: 352.578 | Formula: C20H36N2OS
  • H donors: 1 H acceptors: 3 LogP: 8.79 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCc1c(O)nc(nc1CC)S
  • InChi: 1S/C20H36N2OS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(4-2)21-20(24)22-19(17)23/h3-16H2,1-2H3,(H2,21,22,23,24)
  • InChiKey: OHHXAUDEKUJJIA-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-ethyl-5-tetradecyl-2-thioxo-1H-pyrimidin-4-one
  • 6-ethyl-5-myristyl-2-thioxo-1H-pyrimidin-4-one
  • Compound 1

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
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0623 0.0523
Schistosoma mansoni hypothetical protein 0.0302 0.8371 0.8371
Schistosoma mansoni transcription factor 0.0343 0.957 0.957
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0623 0.0389
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0218 0.0166
Echinococcus multilocularis L aminoadipate semialdehyde 0.0086 0.2042 0.2
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0084 0.0031
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0358 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0161 0.0161
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0086 0.2042 0.2042
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0148 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0367 0.0316
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0053 0.0053
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0182 0.0182
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0148 0.0148
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0084 0.0084
Entamoeba histolytica Ran family GTPase 0.0021 0.0148 0.3176
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.8371 0.8363
Brugia malayi beta-lactamase family protein 0.0037 0.0623 0.0544
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0019 0.0084 0.0084
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0623 0.0523
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0623 0.0573
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0053 0.0053
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0623 0.0523
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0019 0.0084 0.0084
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0358 1 1
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0343 0.957 0.9566
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0085 0.0085
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0218 0.0218
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0148 0.0065
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0243 0.0243
Brugia malayi beta-lactamase family protein 0.0037 0.0623 0.0544
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0086 0.2042 0.1975
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0024 0.0243 0.0139
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0148 0.0096
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0106 0.0053
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0044 0.0823 0.0774
Plasmodium vivax importin-beta 2, putative 0.0028 0.0367 0.0264
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0084 0.0031
Mycobacterium tuberculosis Conserved protein 0.0037 0.0623 0.0523
Loa Loa (eye worm) hypothetical protein 0.0358 1 1
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0358 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0161 0.0108
Toxoplasma gondii ABC1 family protein 0.0037 0.0623 0.0544
Toxoplasma gondii acyltransferase domain-containing protein 0.0358 1 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0084 0.0031
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0623 1
Echinococcus granulosus snurportin 1 0.0302 0.8371 0.8363
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0106 0.0106
Echinococcus granulosus importin subunit beta 1 0.0028 0.0367 0.0316
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0148 0.0096
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0084 0.0084
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0358 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.021 0.2346
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0287 0.0236
Echinococcus multilocularis snurportin 1 0.0302 0.8371 0.8363
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0358 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0084 0.0084
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0623 0.0573
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0106 0.1068
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0106 0.0053
Brugia malayi PHD-finger family protein 0.0026 0.0289 0.0207
Mycobacterium tuberculosis Conserved protein 0.0037 0.0623 0.0523
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0623 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0084 0.0084
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0358 1 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0019 0.0084 0.0084
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0623 0.0623
Brugia malayi RNA, U transporter 1 0.0081 0.1892 0.1824
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.021 0.021
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0019 0.0084 0.0084
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0106 0.0106
Mycobacterium tuberculosis Conserved protein 0.0037 0.0623 0.0523
Leishmania major hypothetical protein, conserved 0.0037 0.0623 0.0623
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0071 0.0019
Loa Loa (eye worm) hypothetical protein 0.004 0.0694 0.0645
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0287 0.0205
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0367 0.0367
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0024 0.0243 0.0139
Echinococcus multilocularis homeobox 0.0343 0.957 0.9568
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0623 0.0623
Trichomonas vaginalis esterase, putative 0.0037 0.0623 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Onchocerca volvulus 0.0086 0.2042 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0053 0.0053
Echinococcus granulosus L aminoadipate semialdehyde 0.0086 0.2042 0.2
Mycobacterium ulcerans lipase LipD 0.0037 0.0623 0.0523
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0084 0.0084
Loa Loa (eye worm) beta-lactamase 0.0037 0.0623 0.0573
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0621 0.0571
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0358 1 1
Brugia malayi Importin beta-1 subunit 0.0028 0.0367 0.0285
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0623 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0243 0.0139
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0148 0.0043
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0358 1 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0623 0.0523
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0084 0.0084
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0148 0.0065
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0106 0.0403
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0085 0.0085
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1336 0.129
Leishmania major GTP-binding protein, putative 0.0021 0.0148 0.0148
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0084 0.0084
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0358 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0287 0.377
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0053 0.0053
Loa Loa (eye worm) acyltransferase 0.0358 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0106 0.0022
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0084 0.0031
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0623 0.0523
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0623 1
Schistosoma mansoni ran 0.0021 0.0148 0.0148
Schistosoma mansoni bromodomain containing protein 0.0065 0.1444 0.1444
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0084 0.0084
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0367 0.0285
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.6463 0.6425
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0358 1 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0623 0.0523
Toxoplasma gondii acyltransferase domain-containing protein 0.0358 1 1
Loa Loa (eye worm) hypothetical protein 0.0358 1 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0243 0.0161
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0148 0.0096
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0623 0.0523
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0106
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.021 0.2346
Loa Loa (eye worm) hypothetical protein 0.0042 0.0766 0.0717
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Echinococcus multilocularis zinc finger protein 0.002 0.0129 0.0076
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0024 0.0243 0.0139
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0084 0.0084
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0084 0.0031
Treponema pallidum lysophosphatidic acid acyltransferase 0.0358 1 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0358 1 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0218 0.0166
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0106 0.0022
Loa Loa (eye worm) hypothetical protein 0.0028 0.0367 0.0316
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0084 0.0084
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0243 0.0139
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0243 0.0139
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0358 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0623 1
Plasmodium falciparum importin beta, putative 0.0028 0.0367 0.0264
Mycobacterium leprae Probable lipase LipE 0.0037 0.0623 0.0389
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0287 0.0287
Echinococcus granulosus zinc finger protein 0.002 0.0129 0.0076
Brugia malayi beta-lactamase 0.0037 0.0623 0.0544
Schistosoma mansoni ap endonuclease 0.0019 0.0106 0.0106
Entamoeba histolytica hypothetical protein 0.0026 0.0287 1
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0358 1 1
Brugia malayi Bromodomain containing protein 0.0039 0.0692 0.0614
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0106 0.0106
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0623 0.0623
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0358 1 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1668 0.1624
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0367 0.0367
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0106 0.0053
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0623 0.0544
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0148 0.0148
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0621 0.0571
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0358 1 1
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0358 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0106 0.0403
Trichomonas vaginalis ran, putative 0.0021 0.0148 0.1197
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0623 0.0623
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0084 0.0031
Mycobacterium ulcerans hypothetical protein 0.0037 0.0623 0.0523
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0287 0.0287
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0.0243 0.0139
Loa Loa (eye worm) hypothetical protein 0.0022 0.0182 0.013
Schistosoma mansoni zinc finger protein 0.002 0.0129 0.0129
Entamoeba histolytica hypothetical protein 0.0023 0.021 0.6224
Trichomonas vaginalis importin beta-1, putative 0.0023 0.021 0.2346
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0623 0.0573
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0287 0.0287
Schistosoma mansoni ran 0.0021 0.0148 0.0148
Entamoeba histolytica hypothetical protein 0.0024 0.0243 0.7844
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0287 0.0236
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0623 0.0523
Leishmania major importin beta-1 subunit, putative 0.0023 0.021 0.021
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0243 0.0243
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0106 0.3364
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0243 0.0161
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0623 0.0623
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0148 0.0043
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Leishmania major phosphatidylinositol 3-kinase, putative 0.0019 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0037 0.0623 0.0573
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1336 0.129
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0148 0.0148
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0358 1 1
Brugia malayi Bromodomain containing protein 0.0077 0.1797 0.1727
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0287 0.0205
Loa Loa (eye worm) hypothetical protein 0.0343 0.957 0.9568
Echinococcus granulosus Msx-like 0.0343 0.957 0.9568
Schistosoma mansoni importin beta-1 0.0028 0.0367 0.0367
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0106 0.0106
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0086 0.2042 0.2
Mycobacterium ulcerans beta-lactamase 0.0037 0.0623 0.0523
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0623 0.0523
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0623 0.0523
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0358 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.7 uM In vitro growth inhibitory effect in human T-cell acute leukemia cells CCRF-CEM ChEMBL. 11689086
IC50 (functional) = 1.7 uM In vitro growth inhibitory effect in human T-cell acute leukemia cells CCRF-CEM ChEMBL. 11689086
Increase (functional) = 5 % Percentage increase in caspase-3 activity of CCRF-CEM human T-leukemia cells. ChEMBL. 11689086
Increase (functional) = 5 % Percentage increase in caspase-3 activity of CCRF-CEM human T-leukemia cells. ChEMBL. 11689086

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11689086

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

1 literature reference was collected for this gene.

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