Detailed information for compound 2095291

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 528.708 | Formula: C24H44N6O5S
  • H donors: 6 H acceptors: 5 LogP: 0.44 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCNC(=O)C)CCCCNC(=S)C)NC(=O)C
  • InChi: 1S/C24H44N6O5S/c1-5-6-11-20(28-17(3)32)23(34)30-21(13-8-10-15-27-18(4)36)24(35)29-19(22(25)33)12-7-9-14-26-16(2)31/h19-21H,5-15H2,1-4H3,(H2,25,33)(H,26,31)(H,27,36)(H,28,32)(H,29,35)(H,30,34)/t19-,20-,21-/m0/s1
  • InChiKey: LYVMXHPJNVMUKZ-ACRUOGEOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens sirtuin 2 Starlite/ChEMBL References
Homo sapiens sirtuin 3 Starlite/ChEMBL References
Homo sapiens sirtuin 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Giardia lamblia Hypothetical protein Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma japonicum expressed protein Get druggable targets OG5_129944 All targets in OG5_129944
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus multilocularis chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Brugia malayi NAD-dependent deacetylase SIRT1 Get druggable targets OG5_129944 All targets in OG5_129944
Leishmania mexicana silent information regulator 2, putative,NAD-dependent SIR2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Echinococcus granulosus chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129944 All targets in OG5_129944
Brugia malayi transcriptional regulator, Sir2 family protein Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans likely SIR2 family histone deacetylase similar to S. cerevisiae HST2 (YPL015C) involved in telomeric chromatin silencing Get druggable targets OG5_127826 All targets in OG5_127826
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Candida albicans one of two genes similar to S. cerevisiae SIR2 (YDL042C) NAD+-dependent histone deacetylase Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma brucei Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Trypanosoma congolense silent information regulator 2 Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma japonicum ko:K01463 sirtuin (silent mating type information regulation 2 homolog) 2 [EC:3.5.1.-], putative Get druggable targets OG5_127826 All targets in OG5_127826
Trypanosoma brucei gambiense silent information regulator 2,NAD-dependent SIR2 Get druggable targets OG5_127826 All targets in OG5_127826
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127826 All targets in OG5_127826
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania major silent information regulator 2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma japonicum ko:K01463 sirtuin 1 (silent mating type information regulation 2, homolog) 1 [EC:3.5.1.-], putative Get druggable targets OG5_129944 All targets in OG5_129944
Trypanosoma cruzi Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania braziliensis NAD-dependent SIR2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania donovani Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Giardia lamblia NAD-dependent histone deacetylase Sir2 Get druggable targets OG5_129944 All targets in OG5_129944
Loa Loa (eye worm) transcriptional regulator Get druggable targets OG5_127826 All targets in OG5_127826
Leishmania infantum silent information regulator 2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Entamoeba histolytica Sir2 family transcriptional regulator, putative Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_129944 All targets in OG5_129944
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 Get druggable targets OG5_129944 All targets in OG5_129944
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Schistosoma mansoni chromatin regulatory protein sir2 Get druggable targets OG5_127826 All targets in OG5_127826
Trypanosoma cruzi Silent information regulator 2 related protein 1 Get druggable targets OG5_127826 All targets in OG5_127826
Candida albicans likely SIR2 family histone deacetylase similar to S. cerevisiae HST2 (YPL015C) involved in telomeric chromatin silencing Get druggable targets OG5_127826 All targets in OG5_127826
Trichomonas vaginalis chromatin regulatory protein sir2, putative Get druggable targets OG5_127826 All targets in OG5_127826
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei SIR2-like protein 4, putative sirtuin 3 257 aa 247 aa 28.7 %
Plasmodium falciparum transcriptional regulatory protein sir2a sirtuin 2 234 aa 207 aa 26.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Hypothetical protein 0.0289 0.746 1
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0417 0.0432
Brugia malayi beta-lactamase family protein 0.0042 0.0417 0.0395
Trypanosoma brucei glucosidase, putative 0.0043 0.0454 0.0376
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.006 0.0923 0.0756
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0417 0.0241
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0421 0.0565
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0741 0.0573
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Echinococcus multilocularis glycoprotein Antigen 5 0.0244 0.6168 0.6097
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0417 0.056
Echinococcus granulosus transmembrane protease serine 3 0.0244 0.6168 0.6098
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0417 0.0325
Echinococcus multilocularis lysosomal alpha glucosidase 0.0194 0.4763 0.4667
Brugia malayi transcriptional regulator, Sir2 family protein 0.006 0.0923 0.1084
Brugia malayi hypothetical protein 0.0282 0.7263 0.9731
Schistosoma mansoni hypothetical protein 0.0358 0.942 0.9409
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.466 0.6247
Echinococcus granulosus glycoprotein Antigen 5 0.0244 0.6168 0.6098
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.006 0.0923 0.1237
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0289 0.746 1
Brugia malayi beta-lactamase 0.0042 0.0417 0.0395
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0094 0.1919 0.1773
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0421 0.0565
Echinococcus granulosus snurportin 1 0.0358 0.942 0.9409
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0454 0.0609
Onchocerca volvulus 0.0244 0.6168 0.8689
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0923 0.1237
Toxoplasma gondii histone deacetylase SIR2 0.006 0.0923 1
Onchocerca volvulus Matrilysin homolog 0.0058 0.0868 0.0955
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0923 0.1237
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0289 0.746 0.7413
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0194 0.4763 0.4989
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0454 0.0609
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0289 0.746 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0417 0.0244
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0417 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0741 0.057
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0454 0.0609
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0417 0.3191
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Plasmodium vivax NAD-dependent deacetylase, putative 0.006 0.0923 1
Onchocerca volvulus 0.0112 0.2428 0.3232
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0417 0.0432
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0289 0.746 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.006 0.0923 0.0759
Mycobacterium ulcerans Sir2-like regulatory protein 0.006 0.0923 0.1185
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Leishmania major silent information regulator 2, putative 0.0289 0.746 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0214 0.0034
Mycobacterium ulcerans glutaminase 0.0267 0.6834 1
Loa Loa (eye worm) glutaminase 2 0.0267 0.6834 0.7217
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0417 0.0432
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.466 0.6247
Brugia malayi Trypsin family protein 0.0244 0.6168 0.8238
Brugia malayi Pre-SET motif family protein 0.0242 0.6114 0.8165
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0244 0.6168 0.6097
Brugia malayi Hemopexin family protein 0.0037 0.0276 0.0202
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0741 0.057
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0421 0.0401
Onchocerca volvulus 0.0244 0.6168 0.8689
Leishmania major alpha glucosidase II subunit, putative 0.0043 0.0454 0.0609
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0421 0.0565
Schistosoma mansoni chromatin regulatory protein sir2 0.0289 0.746 0.7413
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Onchocerca volvulus 0.0042 0.0417 0.0297
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0741 0.0573
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0289 0.746 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Toxoplasma gondii ABC1 family protein 0.0042 0.0417 0.3191
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0417 0.0395
Echinococcus multilocularis Mastin 0.0244 0.6168 0.6097
Toxoplasma gondii exonuclease III APE 0.0042 0.0421 0.3246
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0454 0.0609
Schistosoma mansoni chromatin regulatory protein sir2 0.0191 0.466 0.4562
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0244 0.6168 0.6098
Mycobacterium tuberculosis Conserved protein 0.0042 0.0417 0.0432
Brugia malayi NAD-dependent deacetylase SIRT1 0.0191 0.466 0.6181
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0057
Leishmania major sir2-family protein-like protein 0.006 0.0923 0.1237
Giardia lamblia Transcriptional regulator, Sir2 family 0.006 0.0923 0.0712
Brugia malayi transcriptional regulator, Sir2 family protein 0.0289 0.746 1
Schistosoma mansoni chromatin regulatory protein sir2 0.006 0.0923 0.0756
Plasmodium vivax hypothetical protein, conserved 0.006 0.0923 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.0454 0.0279
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0417 0.0432
Loa Loa (eye worm) trypsin family protein 0.0244 0.6168 0.65
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0417 0.0312
Loa Loa (eye worm) hypothetical protein 0.0282 0.7263 0.7679
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0741 0.0836
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0043 0.0454 0.369
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0417 0.0241
Schistosoma mansoni hypothetical protein 0.0378 1 1
Mycobacterium ulcerans beta-lactamase 0.0042 0.0417 0.0432
Onchocerca volvulus 0.0244 0.6168 0.8689
Echinococcus multilocularis geminin 0.0378 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0244 0.6168 0.6098
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0923 0.1237
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0417 0.056
Brugia malayi Importin beta-1 subunit 0.0033 0.0181 0.0072
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0417 0.056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0741 0.057
Brugia malayi transcriptional regulator, Sir2 family protein 0.006 0.0923 0.1084
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.006 0.0923 0.1237
Schistosoma mansoni chromatin regulatory protein sir2 0.006 0.0923 0.0756
Plasmodium vivax SET domain protein, putative 0.0035 0.0214 0.0447
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0417 0.0432
Schistosoma mansoni ap endonuclease 0.0042 0.0421 0.0245
Brugia malayi Trypsin family protein 0.0244 0.6168 0.8238
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0741 0.057
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.0868 0.0955
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.466 0.6247
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) transcriptional regulator 0.0289 0.746 0.7891
Brugia malayi glutaminase DH11.1 0.0267 0.6834 0.9146
Mycobacterium ulcerans hypothetical protein 0.0042 0.0417 0.0432
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0043 0.0454 0.0352
Giardia lamblia Sirtuin type 2 0.006 0.0923 0.0712
Loa Loa (eye worm) sirtuin 4 0.006 0.0923 0.0855
Schistosoma mansoni hypothetical protein 0.0037 0.0276 0.0097
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0417 0.0432
Onchocerca volvulus 0.0244 0.6168 0.8689
Loa Loa (eye worm) hypothetical protein 0.0131 0.2963 0.3051
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0214 0.0034
Leishmania major hypothetical protein, conserved 0.0042 0.0417 0.056
Onchocerca volvulus 0.0275 0.7066 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0454 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0214 0.0093
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.006 0.0923 0.1237
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.006 0.0923 0.1237
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0417 0.0241
Mycobacterium leprae Probable lipase LipE 0.0042 0.0417 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0194 0.4763 0.4669
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Schistosoma mansoni ap endonuclease 0.0042 0.0421 0.0245
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Echinococcus multilocularis lysosomal alpha glucosidase 0.0194 0.4763 0.4667
Onchocerca volvulus 0.0244 0.6168 0.8689
Mycobacterium tuberculosis Conserved protein 0.0042 0.0417 0.0432
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0214 0.0034
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0191 0.466 0.6247
Echinococcus granulosus Mastin 0.0244 0.6168 0.6098
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.0421 0.0438
Brugia malayi Trypsin family protein 0.0244 0.6168 0.8238
Onchocerca volvulus 0.0244 0.6168 0.8689
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0454 0.0609
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0417 0.056
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0923 0.1237
Schistosoma mansoni alpha-glucosidase 0.0167 0.3992 0.3882
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0191 0.466 0.4562
Echinococcus granulosus importin subunit beta 1 0.0033 0.0181 0.0003
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0421 0.3246
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0417 0.056
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0214 0.0447
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0214 0.0034
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0417 0.056
Onchocerca volvulus 0.0042 0.0417 0.0297
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0421 0.0565
Mycobacterium tuberculosis Conserved protein 0.0042 0.0417 0.0432
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0417 0.056
Trichomonas vaginalis glutaminase, putative 0.0267 0.6834 0.9161
Echinococcus multilocularis snurportin 1 0.0358 0.942 0.9409
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0191 0.466 0.4563
Plasmodium falciparum transcriptional regulatory protein sir2b 0.006 0.0923 1
Schistosoma mansoni hypothetical protein 0.0244 0.6168 0.6097
Schistosoma mansoni alpha-glucosidase 0.0167 0.3992 0.3882
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0289 0.746 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0244 0.6168 0.8238
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Schistosoma mansoni chromatin regulatory protein sir2 0.0289 0.746 0.7413
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.006 0.0923 0.1237
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0214 0.0034
Schistosoma mansoni chromatin regulatory protein sir2 0.006 0.0923 0.0756
Loa Loa (eye worm) beta-lactamase 0.0042 0.0417 0.0312
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0417 0.0432
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0289 0.746 1
Loa Loa (eye worm) transcriptional regulator 0.006 0.0923 0.0855
Mycobacterium tuberculosis Transcriptional regulatory protein 0.006 0.0923 0.1184
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0421 0.0565
Mycobacterium ulcerans hypothetical protein 0.0244 0.6168 0.9007
Brugia malayi Trypsin family protein 0.0244 0.6168 0.8238
Onchocerca volvulus 0.0058 0.0865 0.095
Brugia malayi Matrixin family protein 0.0063 0.1017 0.1212
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0741 0.057
Toxoplasma gondii histone deacetylase SIR2-like 0.006 0.0923 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0454 0.0609
Mycobacterium ulcerans lipase LipD 0.0042 0.0417 0.0432
Onchocerca volvulus 0.0037 0.0276 0.0091
Trichomonas vaginalis sucrase-isomaltase, putative 0.0043 0.0454 0.0609
Schistosoma mansoni alpha glucosidase 0.0043 0.0454 0.0279
Brugia malayi RNA, U transporter 1 0.0095 0.1941 0.2473
Echinococcus granulosus enteropeptidase 0.0244 0.6168 0.6098
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0421 0.0248
Mycobacterium ulcerans NAD-dependent deacetylase 0.006 0.0923 0.1185
Trypanosoma brucei Silent information regulator 2 related protein 3 0.006 0.0923 0.1019
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0289 0.746 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0454 0.0609
Echinococcus multilocularis transmembrane protease serine 3 0.0244 0.6168 0.6097
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0454 0.0609
Brugia malayi hypothetical protein 0.0244 0.6168 0.8238
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0214 0.0034
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Entamoeba histolytica hypothetical protein, conserved 0.006 0.0923 0.1237
Schistosoma mansoni cercarial elastase (S01 family) 0.0244 0.6168 0.6097
Plasmodium falciparum transcriptional regulatory protein sir2a 0.006 0.0923 1
Brugia malayi Trypsin-like protease protein 5 0.0244 0.6168 0.8238
Loa Loa (eye worm) hypothetical protein 0.0042 0.0417 0.0312
Loa Loa (eye worm) hypothetical protein 0.0191 0.466 0.4877
Brugia malayi Pre-SET motif family protein 0.0035 0.0214 0.0117
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.684 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0865 0.1006
Schistosoma mansoni survival motor neuron protein 0.0058 0.0865 0.0697
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0741 0.0659
Trypanosoma brucei SIR2-like protein 4, putative 0.006 0.0923 0.1019
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0417 0.0432
Echinococcus multilocularis chromatin regulatory protein sir2 0.0289 0.746 0.7413
Schistosoma mansoni chromatin regulatory protein sir2 0.0289 0.746 0.7413
Onchocerca volvulus 0.0042 0.0417 0.0297
Treponema pallidum exodeoxyribonuclease (exoA) 0.0042 0.0421 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.0454 0.0282
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.006 0.0923 0.0756
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0358 0.942 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.006 0.0923 0.1237
Schistosoma mansoni hypothetical protein 0.0378 1 1
Trichomonas vaginalis esterase, putative 0.0042 0.0417 0.056
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0191 0.466 0.6022
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0289 0.746 0.7414
Loa Loa (eye worm) glutaminase 0.0267 0.6834 0.7217
Echinococcus granulosus survival motor neuron protein 1 0.0282 0.7263 0.7213
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0242 0.6114 0.6443
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0214 0.0037
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0094 0.1919 0.177
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.0454 0.0609
Loa Loa (eye worm) matrixin family protein 0.0063 0.1017 0.0956
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0417 0.0432
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0454 0.0446
Echinococcus granulosus chromatin regulatory protein sir2 0.0289 0.746 0.7414
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0244 0.6168 0.6097
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0454 0.0609
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0421 0.0245
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0421 0.0316
Schistosoma mansoni hypothetical protein 0.0058 0.0865 0.0697
Trichomonas vaginalis set domain proteins, putative 0.0275 0.7066 0.9472
Echinococcus multilocularis enteropeptidase 0.0244 0.6168 0.6097
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0421 0.5
Schistosoma mansoni hypothetical protein 0.0244 0.6168 0.6097
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0454 0.0609
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0421 0.0565
Loa Loa (eye worm) hypothetical protein 0.0244 0.6168 0.65
Echinococcus multilocularis survival motor neuron protein 1 0.0282 0.7263 0.7212
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.006 0.0923 0.0759
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0421 0.0331
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0421 0.3246
Schistosoma mansoni glutaminase 0.0267 0.6834 0.6776
Brugia malayi beta-lactamase family protein 0.0042 0.0417 0.0395
Loa Loa (eye worm) matrixin family protein 0.0058 0.0868 0.0797
Brugia malayi Glycosyl hydrolases family 31 protein 0.0194 0.4763 0.6322
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0421 0.0438
Loa Loa (eye worm) transcriptional regulator 0.006 0.0923 0.0855

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.45 uM Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD ChEMBL. 26220157
IC50 (binding) = 0.81 uM Inhibition of human His6-tagged SIRT2 after 12 mins by HPLC analysis in presence of beta-NAD ChEMBL. 26220157
IC50 (binding) = 2.78 uM Inhibition of human His6 or GST-tagged SIRT1 after 10 mins by HPLC analysis in presence of beta-NAD ChEMBL. 26220157

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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