Detailed information for compound 1411579

Basic information

Technical information
  • TDR Targets ID: 1411579
  • Name: 1-[4-(4-methylphenyl)sulfonyl-2-thiophen-2-yl -1,3-oxazol-5-yl]piperidine
  • MW: 388.504 | Formula: C19H20N2O3S2
  • H donors: 0 H acceptors: 3 LogP: 4.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCCCC1)c1cccs1
  • InChi: 1S/C19H20N2O3S2/c1-14-7-9-15(10-8-14)26(22,23)18-19(21-11-3-2-4-12-21)24-17(20-18)16-6-5-13-25-16/h5-10,13H,2-4,11-12H2,1H3
  • InChiKey: QBDAAMZDFCFCPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-(4-methylphenyl)sulfonyl-2-(2-thienyl)oxazol-5-yl]piperidine
  • 1-[4-(4-methylphenyl)sulfonyl-2-(2-thienyl)-5-oxazolyl]piperidine
  • ZINC01052926
  • NCGC00102243-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0138 0.1088 0.1088
Leishmania major cathepsin L-like protease 0.0573 0.5151 0.6511
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0217 0.0196
Loa Loa (eye worm) inositol-1 0.0045 0.0217 0.0217
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0573 0.5151 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.033 0.0309
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Plasmodium vivax vivapain-1 0.0319 0.2782 0.5276
Echinococcus multilocularis cathepsin L cysteine protease 0.0573 0.5151 0.5141
Schistosoma mansoni cathepsin S (C01 family) 0.0138 0.1088 0.1069
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0138 0.1088 0.1765
Echinococcus multilocularis cathepsin b 0.1092 1 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Trypanosoma cruzi cysteine proteinase, putative 0.0319 0.2782 0.2622
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0573 0.5151 0.5151
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0138 0.1088 0.1896
Brugia malayi cathepsin L-like precursor 0.0391 0.3457 0.3403
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Giardia lamblia Cathepsin B precursor 0.0374 0.3298 0.8018
Schistosoma mansoni inositol monophosphatase 0.0045 0.0217 0.0196
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0174 0.5
Onchocerca volvulus Cathepsin L homolog 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Trichomonas vaginalis conserved hypothetical protein 0.0138 0.1088 0.1765
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.1092 1 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.1088 0.1069
Plasmodium vivax serine-repeat antigen (SERA) 0.0138 0.1088 0.1896
Brugia malayi Papain family cysteine protease containing protein 0.0319 0.2782 0.2723
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0137 0.0116
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0221 0.1864 0.1909
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0206 0.0185
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0138 0.1088 0.1069
Plasmodium vivax unspecified product 0.0319 0.2782 0.5276
Entamoeba histolytica cysteine proteinase, putative 0.0573 0.5151 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Echinococcus granulosus cathepsin L cysteine protease 0.0319 0.2782 0.2767
Loa Loa (eye worm) cathepsin B 0.0433 0.3844 0.3844
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0374 0.3298 0.6244
Loa Loa (eye worm) ctsf protein 0.0573 0.5151 0.5151
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0319 0.2782 0.2622
Echinococcus multilocularis cathepsin L 0.0138 0.1088 0.1069
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0125 0.0104
Plasmodium vivax unspecified product 0.0138 0.1088 0.1896
Brugia malayi cathepsin Z-like cysteine proteinase 0.0374 0.3298 0.3243
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0221 0.1864 0.2814
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2782 0.2767
Giardia lamblia Cathepsin B precursor 0.0433 0.3844 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0573 0.5151 0.5141
Entamoeba histolytica hypothetical protein 0.0138 0.1088 0.1765
Echinococcus granulosus cathepsin L 0.0319 0.2782 0.2767
Brugia malayi Cathepsin L-like cysteine proteinase 0.0391 0.3457 0.3403
Entamoeba histolytica cysteine proteinase, putative 0.0573 0.5151 1
Leishmania major cysteine peptidase A (CPA) 0.0573 0.5151 0.6511
Trypanosoma brucei cysteine peptidase C (CPC) 0.0433 0.3844 0.4787
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0138 0.1088 0.1015
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0138 0.1088 0.1069
Onchocerca volvulus 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0433 0.3844 0.7352
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.033 0.0309
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Trypanosoma cruzi cysteine peptidase, putative 0.0573 0.5151 0.5043
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0674 0.61 0.6014
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Onchocerca volvulus 0.0573 0.5151 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0137 0.0116
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0573 0.5151 1
Onchocerca volvulus Cathepsin F homolog 0.0573 0.5151 1
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0217 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.0573 0.5151 0.5141
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0138 0.1088 0.1765
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0433 0.3844 0.3831
Giardia lamblia Cathepsin B precursor 0.0433 0.3844 1
Loa Loa (eye worm) cysteine protease 0.0573 0.5151 0.5151
Trypanosoma cruzi cysteine proteinase, putative 0.0319 0.2782 0.2622
Giardia lamblia Encystation-specific protease 0.0221 0.1864 0.2814
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Echinococcus granulosus cathepsin b 0.1092 1 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2782 0.2767
Brugia malayi cathepsin L-like cysteine proteinase 0.0138 0.1088 0.1015
Trypanosoma cruzi major cysteine proteinase, putative 0.0421 0.3732 0.3592
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0033 0.0033
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Onchocerca volvulus 0.0573 0.5151 1
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2782 0.5199
Loa Loa (eye worm) hypothetical protein 0.0052 0.0282 0.0282
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.1088 0.1069
Entamoeba histolytica cysteine protease, putative 0.0573 0.5151 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0374 0.3298 0.3298
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.1495 0.1495
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0319 0.2782 0.2767
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2148 0.2148
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Schistosoma mansoni cathepsin s 0.0181 0.1495 0.1476
Trypanosoma cruzi cruzipain precursor, putative 0.0181 0.1495 0.1306
Trypanosoma cruzi cruzipain precursor, putative 0.0856 0.7794 0.7745
Brugia malayi cathepsin Z-like cysteine proteinase 0.0374 0.3298 0.3243
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1335 0.1316
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0055 0.0034
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0181 0.1495 0.1495
Echinococcus granulosus cysteine protease 0.0319 0.2782 0.2767
Loa Loa (eye worm) hypothetical protein 0.0391 0.3457 0.3457
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Leishmania major cathepsin L-like protease 0.0856 0.7794 1
Onchocerca volvulus 0.0573 0.5151 1
Plasmodium vivax unspecified product 0.0181 0.1495 0.2707
Leishmania major cathepsin L-like protease 0.0573 0.5151 0.6511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0138 0.1088 0.1896
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2473 0.4571
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Toxoplasma gondii preprocathepsin c precursor, putative 0.0357 0.3132 0.5973
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Trypanosoma cruzi cysteine peptidase, putative 0.0319 0.2782 0.2622
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0573 0.5151 0.5141
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0357 0.3132 0.3117
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0217 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0856 0.7794 0.7745
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Trypanosoma cruzi cysteine peptidase, putative 0.0856 0.7794 0.7745
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0319 0.2782 0.5199
Toxoplasma gondii cathepsin CPC2 0.0221 0.1864 0.3443
Leishmania major cathepsin L-like protease 0.0573 0.5151 0.6511
Echinococcus granulosus cathepsin l1 0.0573 0.5151 0.5141
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0138 0.1088 0.1765
Plasmodium vivax vivapain-2 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0474 0.0454
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Brugia malayi Bromodomain containing protein 0.0091 0.0647 0.057
Loa Loa (eye worm) hypothetical protein 0.0049 0.026 0.026
Entamoeba histolytica cysteine proteinase 1, putative 0.0319 0.2782 0.5199
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0221 0.1864 0.2814
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0374 0.3298 0.6244
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0374 0.3298 0.6244
Onchocerca volvulus 0.0286 0.2473 0.4658
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Echinococcus multilocularis cathepsin L cysteine protease 0.0573 0.5151 0.5141
Onchocerca volvulus 0.0573 0.5151 1
Entamoeba histolytica cysteine proteinase, putative 0.0391 0.3457 0.6566
Loa Loa (eye worm) hypothetical protein 0.0181 0.1495 0.1495
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Brugia malayi Papain family cysteine protease containing protein 0.0138 0.1088 0.1015
Brugia malayi fibroinase precursor 0.0138 0.1088 0.1015
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0357 0.3132 0.5031
Echinococcus granulosus cathepsin L 0.0138 0.1088 0.1069
Brugia malayi Cathepsin L-like precursor 0.0391 0.3457 0.3403
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0433 0.3844 0.3708
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0573 0.5151 0.5151
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2782 0.5199
Loa Loa (eye worm) fibroinase 0.0573 0.5151 0.5151
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0138 0.1088 0.1896
Plasmodium falciparum cysteine proteinase falcipain 1 0.0319 0.2782 0.417
Plasmodium falciparum cysteine proteinase falcipain 3 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0274 0.2357 0.4336
Onchocerca volvulus 0.0573 0.5151 1
Brugia malayi Cathepsin L-like precursor 0.0181 0.1495 0.1425
Leishmania major cathepsin L-like protease 0.0856 0.7794 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.1335 0.1316
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1092 1 1
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0357 0.3132 0.7416
Brugia malayi Pre-SET motif family protein 0.0036 0.0137 0.0056
Toxoplasma gondii cathepsin CPL 0.0573 0.5151 1
Echinococcus multilocularis cathepsin b 0.1092 1 1
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0138 0.1088 0.1896
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0391 0.3457 0.6566
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Brugia malayi cathepsin L precursor 0.0138 0.1088 0.1015
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1221 0.1202
Leishmania major cathepsin L-like protease 0.0856 0.7794 1
Schistosoma mansoni cathepsin F (C01 family) 0.0573 0.5151 0.5141
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0433 0.3844 0.4787
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0374 0.3298 0.6244
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2782 0.5199
Echinococcus multilocularis cysteine protease 0.0573 0.5151 0.5141
Schistosoma mansoni bromodomain containing protein 0.0076 0.0515 0.0494
Echinococcus granulosus cathepsin L cysteine proteinase 0.0573 0.5151 0.5141
Onchocerca volvulus Cathepsin L homolog 0.0138 0.1088 0.1896
Echinococcus multilocularis cathepsin L 0.0319 0.2782 0.2767
Onchocerca volvulus Cathepsin L homolog 0.0573 0.5151 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0598 0.0598
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0357 0.3132 0.5973
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0319 0.2782 0.5199
Toxoplasma gondii cathepsin B 0.0433 0.3844 0.7394
Schistosoma mansoni cathepsin B (C01 family) 0.0138 0.1088 0.1069
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0055 0.0034
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0138 0.1088 0.1765
Loa Loa (eye worm) hypothetical protein 0.0391 0.3457 0.3457
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0391 0.3457 0.6566
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0206 0.0185
Leishmania major cathepsin L-like protease 0.0573 0.5151 0.6511
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0357 0.3132 0.5973
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0319 0.2782 0.3385
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.1088 0.1069
Giardia lamblia Cathepsin B precursor 0.0433 0.3844 1
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Echinococcus granulosus cathepsin l1 0.0391 0.3457 0.3443
Brugia malayi Bromodomain containing protein 0.0046 0.0233 0.0152
Brugia malayi Papain family cysteine protease containing protein 0.0573 0.5151 0.5111
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Loa Loa (eye worm) hypothetical protein 0.0181 0.1495 0.1495
Plasmodium vivax vivapain-2 0.0573 0.5151 1
Brugia malayi Papain family cysteine protease containing protein 0.0319 0.2782 0.2723
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Schistosoma mansoni hypothetical protein 0.0152 0.1221 0.1202
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0138 0.1088 0.1765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Loa Loa (eye worm) hypothetical protein 0.1092 1 1
Schistosoma mansoni cathepsin F (C01 family) 0.0391 0.3457 0.3443
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Schistosoma mansoni thyroid hormone receptor 0.0164 0.1335 0.1316
Entamoeba histolytica cysteine proteinase, putative 0.0319 0.2782 0.5199
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0055 0.0034
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0138 0.1088 0.1896
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0138 0.1088 0.1896
Loa Loa (eye worm) hypothetical protein 0.0573 0.5151 0.5151
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0137 0.0116
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Leishmania major cathepsin L-like protease 0.0573 0.5151 0.6511
Trichomonas vaginalis conserved hypothetical protein 0.0138 0.1088 0.1765
Schistosoma mansoni cathepsin C 0.0138 0.1088 0.1069
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Entamoeba histolytica cysteine protease, putative 0.0138 0.1088 0.1765
Brugia malayi Cathepsin L-like precursor 0.0391 0.3457 0.3403
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1221 0.1202
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1092 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0138 0.1088 0.1765
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Onchocerca volvulus 0.0138 0.1088 0.1896
Trypanosoma cruzi cysteine protease, putative 0.0319 0.2782 0.2622
Brugia malayi cathepsin F-like cysteine proteinase 0.0138 0.1088 0.1015
Onchocerca volvulus 0.0391 0.3457 0.6621
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0138 0.1088 0.1069
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0138 0.1088 0.1765
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.1088 0.1069
Trypanosoma cruzi cysteine peptidase, putative 0.0181 0.1495 0.1306
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0474 0.0454
Plasmodium vivax vivapain-3 0.0319 0.2782 0.5276
Entamoeba histolytica cysteine proteinase 2 0.0319 0.2782 0.5199
Toxoplasma gondii cathepsin CPC1 0.0357 0.3132 0.5973
Loa Loa (eye worm) hypothetical protein 0.0391 0.3457 0.3457
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0138 0.1088 0.1896
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0319 0.2782 0.3385
Brugia malayi cathepsin F-like cysteine proteinase 0.0181 0.1495 0.1425
Brugia malayi Pre-SET motif family protein 0.0251 0.2148 0.2084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Brugia malayi Inositol-1 0.0045 0.0217 0.0137
Schistosoma mansoni cathepsin F (C01 family) 0.0573 0.5151 0.5141
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Schistosoma mansoni hypothetical protein 0.0025 0.0033 0.0012
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.1092 1 1
Brugia malayi Cathepsin L-like precursor 0.0573 0.5151 0.5111
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0573 0.5151 1
Brugia malayi Papain family cysteine protease containing protein 0.0138 0.1088 0.1015
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0573 0.5151 1
Loa Loa (eye worm) hypothetical protein 0.0138 0.1088 0.1088
Trypanosoma cruzi cysteine peptidase, putative 0.0856 0.7794 0.7745
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0217 0.0196
Schistosoma mansoni inositol monophosphatase 0.0045 0.0217 0.0196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0138 0.1088 0.1069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Onchocerca volvulus 0.0573 0.5151 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0357 0.3132 0.5031
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0217 0.0159
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0138 0.1088 0.1088
Echinococcus granulosus cathepsin b 0.1092 1 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0221 0.1864 0.3443
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0138 0.1088 0.1765
Plasmodium vivax serine-repeat antigen (SERA) 0.0138 0.1088 0.1896
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0174 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0138 0.1088 0.1765
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0181 0.1495 0.1425
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.1092 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0573 0.5151 1
Entamoeba histolytica cysteine protease, putative 0.0319 0.2782 0.5199
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.033 0.0309
Loa Loa (eye worm) hypothetical protein 0.0046 0.0234 0.0234
Brugia malayi Papain family cysteine protease containing protein 0.0138 0.1088 0.1015
Loa Loa (eye worm) hypothetical protein 0.0057 0.033 0.033
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.033 0.0309
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0573 0.5151 1
Echinococcus multilocularis cysteine protease 0.0573 0.5151 0.5141
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0856 0.7794 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0138 0.1088 0.089

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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.