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

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.