Detailed information for compound 1416124

Basic information

Technical information
  • TDR Targets ID: 1416124
  • Name: N-(2,4-difluorophenyl)-2-[methyl-(4-methylphe nyl)sulfonylamino]benzamide
  • MW: 416.441 | Formula: C21H18F2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.03 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S(=O)(=O)N(c1ccccc1C(=O)Nc1ccc(cc1F)F)C
  • InChi: 1S/C21H18F2N2O3S/c1-14-7-10-16(11-8-14)29(27,28)25(2)20-6-4-3-5-17(20)21(26)24-19-12-9-15(22)13-18(19)23/h3-13H,1-2H3,(H,24,26)
  • InChiKey: DMUBFGCNFLUSRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-difluorophenyl)-2-[methyl-(4-methylphenyl)sulfonyl-amino]benzamide
  • MLS000974460
  • N-(2,4-difluorophenyl)-2-{methyl[(4-methylphenyl)sulfonyl]amino}benzamide
  • SMR000497964
  • ZINC01119999

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0142 0.0413 0.1078
Toxoplasma gondii subtilisin SUB8 0.0082 0.0181 0.0433
Loa Loa (eye worm) TK/INSR protein kinase 0.0094 0.023 0.0256
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0082 0.0181 0.05
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0034 0.0076
Brugia malayi SRC-1 0.0043 0.0034 0.0057
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0142 0.0413 0.1241
Loa Loa (eye worm) hypothetical protein 0.0121 0.0332 0.037
Loa Loa (eye worm) hypothetical protein 0.0105 0.0271 0.0302
Plasmodium falciparum plasmepsin VII 0.0124 0.0344 0.0866
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Plasmodium vivax aspartyl protease, putative 0.0124 0.0344 0.0913
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.018 0.0561 0.0529
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.0332 0.0986
Echinococcus multilocularis Furin 1 0.0165 0.0501 0.1142
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0142 0.0413 0.094
Echinococcus granulosus integrin alpha ps 0.0685 0.2509 0.5721
Mycobacterium leprae conserved hypothetical protein 0.005 0.0061 0.0086
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0897 0.3328 0.5777
Echinococcus multilocularis adam 0.0255 0.0851 0.1939
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0082 0.0181 0.0544
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0847 0.3134 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0058 0.0064
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0847 0.3134 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0237 0.0781 0.1779
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Plasmodium vivax ribonucleotide reductase small subunit, putative 0.0048 0.0051 0.0052
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0083 0.0186 0.0517
Echinococcus multilocularis disintegrin and metalloproteinase 0.0075 0.0154 0.035
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0249 0.0278
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0236 0.0776 0.0745
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0142 0.0413 0.1241
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Loa Loa (eye worm) hypothetical protein 0.0105 0.0273 0.0304
Loa Loa (eye worm) hypothetical protein 0.0105 0.0273 0.0304
Echinococcus multilocularis integrin beta 2 0.0706 0.2589 0.5905
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0938 0.2917
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0237 0.0781 0.0749
Schistosoma mansoni tyrosine kinase 0.0158 0.0475 0.0443
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.018 0.0561 0.0529
Loa Loa (eye worm) endoprotease bli-4 0.0492 0.1766 0.1972
Trypanosoma brucei subtilisin peptidase 0.0082 0.0181 0.0544
Echinococcus granulosus neuroendocrine convertase 2 0.0333 0.1151 0.2623
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Brugia malayi metalloprotease 0.005 0.0058 0.01
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0026 0.0077
Toxoplasma gondii aspartyl protease 0.0124 0.0344 0.0913
Echinococcus granulosus epidermal growth factor receptor 0.0158 0.0475 0.1081
Echinococcus multilocularis disks large 3 0.0048 0.0053 0.0119
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Plasmodium falciparum subtilisin-like protease 1 0.0924 0.3432 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0043 0.0034 0.0075
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0082 0.0181 0.0148
Plasmodium vivax subtilisin-like serine protease, putative 0.0082 0.0181 0.0433
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0897 0.3328 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0847 0.3134 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0324 0.1117 0.2545
Toxoplasma gondii subtilisin SUB7 0.0082 0.0181 0.0433
Plasmodium falciparum plasmepsin IV 0.0237 0.0781 0.2157
Brugia malayi hypothetical protein 0.0124 0.0344 0.0596
Echinococcus multilocularis integrin alpha 3 0.1171 0.4385 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0034 0.0025
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0082 0.0181 0.0148
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0048 0.0051 0.0083
Brugia malayi NAD-dependent deacetylase SIRT1 0.0121 0.0332 0.0575
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0043 0.0034 0.0075
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0477 0.1709 0.1681
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Toxoplasma gondii subtilisin SUB2 0.0082 0.0181 0.0433
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0047 0.0049 0.011
Brugia malayi angiogenesis inhibito 0.0105 0.0273 0.0472
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0034 0.0058
Brugia malayi Eukaryotic aspartyl protease family protein 0.0124 0.0344 0.0596
Trichomonas vaginalis esterase, putative 0.0043 0.0034 0.0027
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Plasmodium vivax plasmepsin IV, putative 0.0237 0.0781 0.2197
Toxoplasma gondii subtilisin SUB4 0.0082 0.0181 0.0433
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0492 0.1766 0.1738
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0082 0.0181 0.0471
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0897 0.3328 0.9693
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.0221 0.0503
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0181 0.05
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Echinococcus multilocularis epidermal growth factor receptor 0.0158 0.0475 0.1081
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0324 0.1117 0.351
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Brugia malayi beta-lactamase family protein 0.0043 0.0034 0.0058
Echinococcus multilocularis geminin 0.0205 0.0656 0.1494
Loa Loa (eye worm) hypothetical protein 0.0147 0.0434 0.0484
Loa Loa (eye worm) hypothetical protein 0.0124 0.0344 0.0384
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0165 0.0501 0.0469
Plasmodium falciparum plasmepsin VI 0.0237 0.0781 0.2157
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0324 0.1117 0.351
Loa Loa (eye worm) hypothetical protein 0.1155 0.4325 0.483
Echinococcus granulosus disintegrin and metalloproteinase 0.0075 0.0154 0.035
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0158 0.0475 0.1081
Plasmodium falciparum plasmepsin IX 0.0124 0.0344 0.0866
Brugia malayi Integrin beta pat-3 precursor 0.0957 0.3558 0.6176
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0043 0.0034 0.0075
Loa Loa (eye worm) proprotein convertase 2 0.0165 0.0501 0.0559
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0351 0.1222 0.2121
Echinococcus multilocularis integrin alpha ps 0.0328 0.1133 0.2582
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0043 0.0034 0.0075
Echinococcus granulosus subfamily M12B unassigned peptidase 0.018 0.0561 0.1279
Schistosoma mansoni hypothetical protein 0.0083 0.0186 0.0153
Plasmodium vivax aspartyl protease, putative 0.0124 0.0344 0.0913
Brugia malayi proprotein convertase 2 0.0333 0.1151 0.1997
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (BETA CHAIN) NRDF (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R2F PROTEIN) 0.0048 0.0051 0.0057
Loa Loa (eye worm) hypothetical protein 0.0124 0.0344 0.0384
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0047 0.0049 0.011
Echinococcus granulosus Furin 1 0.0165 0.0501 0.1142
Brugia malayi Integrin alpha cytoplasmic region family protein 0.1155 0.4325 0.7507
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0034 0.0025
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trichomonas vaginalis hypothetical protein 0.0083 0.0186 0.0517
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0083 0.0186 0.0517
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0082 0.0181 0.0475
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.005 0.0061 0.0086
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0142 0.0413 0.1241
Schistosoma mansoni hypothetical protein 0.0092 0.0222 0.0189
Schistosoma mansoni tyrosine kinase 0.0155 0.0464 0.0432
Loa Loa (eye worm) SRC-1 0.0043 0.0034 0.0037
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.018 0.0561 0.1279
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0897 0.3328 0.9694
Toxoplasma gondii subtilisin SUB5 0.0082 0.0181 0.0433
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0897 0.3328 0.3717
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0897 0.3328 1
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0142 0.0413 0.0381
Brugia malayi endoprotease bli-4 precursor 0.0492 0.1766 0.3065
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0121 0.0332 0.4942
Echinococcus multilocularis epidermal growth factor receptor 0.0293 0.0996 0.2269
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0897 0.3328 0.9694
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Echinococcus granulosus adam 0.0255 0.0851 0.1939
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0082 0.0181 0.0475
Plasmodium falciparum plasmepsin II 0.0237 0.0781 0.2157
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Toxoplasma gondii subtilisin SUB10 0.0082 0.0181 0.0433
Brugia malayi Disintegrin family protein 0.0075 0.0154 0.0267
Plasmodium falciparum plasmepsin I 0.0237 0.0781 0.2157
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Echinococcus granulosus geminin 0.0205 0.0656 0.1494
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Echinococcus granulosus integrin alpha 3 0.1171 0.4385 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Loa Loa (eye worm) subtilase 0.0082 0.0181 0.0201
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Plasmodium falciparum subtilisin-like protease 3 0.0082 0.0181 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0181 0.05
Mycobacterium ulcerans hypothetical protein 0.0043 0.0034 0.0027
Plasmodium falciparum plasmepsin V 0.0124 0.0344 0.0866
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0034 0.0027
Giardia lamblia High cysteine membrane protein Group 2 0.0159 0.0481 1
Brugia malayi neuroendocrine convertase 1 precursor 0.0333 0.1151 0.1997
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Loa Loa (eye worm) hypothetical protein 0.0168 0.0516 0.0575
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0083 0.0186 0.0517
Brugia malayi hypothetical protein 0.0147 0.0434 0.0752
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0047 0.0049 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0034 0.0102
Echinococcus granulosus insulin receptor 0.0094 0.023 0.0522
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0847 0.3134 1
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0142 0.0413 0.0461
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.0332 0.0986
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0026 0.0077
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0237 0.0781 0.2429
Schistosoma mansoni tyrosine kinase 0.0155 0.0464 0.0432
Brugia malayi ribonucleotide reductase 2 0.0142 0.0413 0.0716
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0121 0.0332 0.0756
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0897 0.3328 0.759
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0897 0.3328 0.759
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0337 0.1166 0.2659
Loa Loa (eye worm) guanylate kinase 0.0044 0.0035 0.0038
Loa Loa (eye worm) hypothetical protein 0.0328 0.1133 0.1265
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.026 0.0869 0.2552
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0034 0.0027
Schistosoma mansoni furin-1 (S08 family) 0.025 0.083 0.08
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0237 0.0781 0.0871
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.005 0.0058 0.0025
Loa Loa (eye worm) hypothetical protein 0.0492 0.1766 0.1972
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0075 0.0154 0.035
Brugia malayi Integrin alpha pat-2 precursor 0.1527 0.5761 1
Brugia malayi hypothetical protein 0.0124 0.0344 0.0596
Brugia malayi celfurPC protein 0.0409 0.1446 0.2509
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1115
Loa Loa (eye worm) integrin beta-2 0.0957 0.3558 0.3974
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1151
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0034 0.0037
Onchocerca volvulus 0.0082 0.0181 0.474
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0082 0.0181 0.05
Loa Loa (eye worm) angiogenesis inhibito 0.005 0.0058 0.0064
Echinococcus multilocularis Kelch repeat type 1 0.0092 0.0222 0.0505
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1069
Schistosoma mansoni memapsin-2 (A01 family) 0.2248 0.8543 0.8538
Plasmodium vivax plasmepsin V, putative 0.0124 0.0344 0.0913
Schistosoma mansoni microtubule-associated protein tau 0.0793 0.2926 0.2902
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0142 0.0413 0.1115
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0048 0.0051 0.0155
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0094 0.023 0.0522
Echinococcus multilocularis integrin alpha ps 0.0685 0.2509 0.5721
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0043 0.0034 0.0075
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0026 0.0057
Echinococcus multilocularis microtubule associated protein 2 0.0793 0.2926 0.6672
Loa Loa (eye worm) TK/EGFR protein kinase 0.0293 0.0996 0.1111
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0847 0.3134 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0082 0.0181 0.0411
Brugia malayi hypothetical protein 0.0236 0.0776 0.1345
Schistosoma mansoni cell polarity protein 0.0048 0.0053 0.0019
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0082 0.0181 0.0313
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0075 0.0154 0.035
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0094 0.023 0.0522
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0082 0.0181 0.0475
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0082 0.0181 0.0411
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0304 0.1041 0.3249
Plasmodium vivax aspartyl proteinase, putative 0.0237 0.0781 0.2197
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0082 0.0181 0.0313
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0897 0.3328 0.3306
Loa Loa (eye worm) hypothetical protein 0.0074 0.0153 0.017
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0043 0.0034 0.0075
Mycobacterium ulcerans lipase LipD 0.0043 0.0034 0.0027
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Echinococcus granulosus epidermal growth factor receptor 0.0293 0.0996 0.2269
Mycobacterium ulcerans beta-lactamase 0.0043 0.0034 0.0027
Echinococcus multilocularis neuroendocrine convertase 2 0.0333 0.1151 0.2623
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Echinococcus granulosus tyrosine protein kinase Lyn 0.0043 0.0034 0.0075
Brugia malayi Protein kinase domain containing protein 0.0094 0.023 0.0398
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0034 0.0076
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0324 0.1117 0.2545
Loa Loa (eye worm) hypothetical protein 0.1199 0.4494 0.5019
Echinococcus granulosus integrin alpha ps 0.0328 0.1133 0.2582
Schistosoma mansoni dihydroceramide desaturase 0.0075 0.0154 0.0121
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0142 0.0413 0.1223
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0082 0.0181 0.0475
Schistosoma mansoni tyrosine kinase 0.0094 0.023 0.0197
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0082 0.0181 0.0475
Schistosoma mansoni site-1 peptidase (S08 family) 0.0082 0.0181 0.0148
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0142 0.0413 0.1223
Plasmodium falciparum plasmepsin VIII, putative 0.0124 0.0344 0.0866
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0181 0.05
Brugia malayi beta-lactamase 0.0043 0.0034 0.0058
Schistosoma mansoni cathepsin D (A01 family) 0.0525 0.1894 0.1867
Plasmodium vivax aspartyl protease, putative 0.0124 0.0344 0.0913
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.0332 0.0986
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0128 0.0361 0.0328
Brugia malayi aspartic protease BmAsp-2, identical 0.0124 0.0344 0.0596
Schistosoma mansoni tyrosine kinase 0.0293 0.0996 0.0965
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1173
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0082 0.0181 0.05
Schistosoma mansoni hypothetical protein 0.0205 0.0656 0.0624
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0043 0.0034 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0181 0.05
Loa Loa (eye worm) hypothetical protein 0.0075 0.0154 0.0172
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Brugia malayi Furin-like cysteine rich region family protein 0.0293 0.0996 0.1727
Loa Loa (eye worm) reprolysin 0.018 0.0561 0.0626
Brugia malayi Guanylate kinase family protein 0.0057 0.0086 0.0148
Toxoplasma gondii aspartyl protease ASP3 0.0124 0.0344 0.0913
Loa Loa (eye worm) hypothetical protein 0.0843 0.3118 0.3482
Loa Loa (eye worm) aspartyl protease 6 0.0124 0.0344 0.0384
Echinococcus multilocularis 0.0409 0.1446 0.3296
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0034 0.0027
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.0221 0.0503
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0147 0.0434 0.0484
Schistosoma mansoni integrin alpha-ps 0.0685 0.2509 0.2483
Toxoplasma gondii subtilisin SUB6 0.0082 0.0181 0.0433
Schistosoma mansoni tyrosine kinase 0.0155 0.0464 0.0432
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Toxoplasma gondii subtilisin SUB1 0.0924 0.3432 1
Brugia malayi ADAMTS-like protease 0.0105 0.0273 0.0472
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0043 0.0034 0.0075
Echinococcus multilocularis insulin receptor 0.0094 0.023 0.0522
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0046 0.0043 0.0047
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Echinococcus granulosus dna polymerase kappa 0.0041 0.0026 0.0057
Schistosoma mansoni hypothetical protein 0.0328 0.1133 0.1103
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0082 0.0181 0.0475
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Loa Loa (eye worm) hypothetical protein 0.0082 0.0181 0.0201
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Loa Loa (eye worm) hypothetical protein 0.0149 0.044 0.0491
Schistosoma mansoni chromatin regulatory protein sir2 0.0121 0.0332 0.03
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0897 0.3328 1
Echinococcus granulosus adam 17 protease 0.0075 0.0154 0.035
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0047 0.0049 0.011
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Echinococcus granulosus disks large 3 0.0048 0.0053 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Brugia malayi Pepsin A precursor 0.0124 0.0344 0.0596
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0124 0.0344 0.0384
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Toxoplasma gondii subtilisin SUB11 0.0082 0.0181 0.0433
Toxoplasma gondii subtilisin SUB12 0.0082 0.0181 0.0433
Loa Loa (eye worm) metalloprotease 0.005 0.0058 0.0064
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.0034 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Plasmodium vivax aspartyl proteinase, putative 0.0124 0.0344 0.0913
Brugia malayi beta-lactamase family protein 0.0043 0.0034 0.0058
Onchocerca volvulus 0.0124 0.0344 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0128 0.0142
Toxoplasma gondii aspartyl protease ASP1 0.0237 0.0781 0.2197
Schistosoma mansoni hypothetical protein 0.0205 0.0656 0.0624
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0037
Schistosoma mansoni tyrosine kinase 0.0158 0.0475 0.0443
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0082 0.0181 0.0471
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0181 0.05
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0124 0.0344 0.0913
Plasmodium falciparum plasmepsin III 0.0124 0.0344 0.0866
Brugia malayi ADAM-TS Spacer 1 family protein 0.0105 0.0273 0.0472
Schistosoma mansoni tumor necrosis factor receptor related 0.0047 0.0049 0.0015
Schistosoma mansoni cathepsin D (A01 family) 0.0525 0.1894 0.1867
Plasmodium vivax subtilisin-like protease 2, putative 0.0082 0.0181 0.0433
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1173
Loa Loa (eye worm) hypothetical protein 0.0056 0.008 0.0089
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Plasmodium vivax subtilisin-like protease 1 0.0924 0.3432 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0249 0.0432
Mycobacterium leprae Possible secreted protease 0.0082 0.0181 0.0475
Echinococcus granulosus microtubule associated protein 2 0.0793 0.2926 0.6672
Brugia malayi aspartic protease BmAsp-1, identical 0.0124 0.0344 0.0596
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0082 0.0181 0.0411
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0034 0.0027
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0082 0.0181 0.0471
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0897 0.3328 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0237 0.0781 0.1779
Echinococcus multilocularis 0.009 0.0214 0.0488
Schistosoma mansoni integrin alpha-ps 0.0356 0.1242 0.1212
Echinococcus granulosus tyrosine protein kinase Src42A 0.0043 0.0034 0.0075
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0121 0.0332 0.0756
Trypanosoma cruzi subtilisin peptidase 0.0082 0.0181 0.0471
Brugia malayi Kelch motif family protein 0.0147 0.0434 0.0752
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Loa Loa (eye worm) hypothetical protein 0.018 0.0561 0.0626
Loa Loa (eye worm) hypothetical protein 0.0405 0.1428 0.1595
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Schistosoma mansoni site-1 peptidase (S08 family) 0.0082 0.0181 0.0148
Echinococcus multilocularis integrin alpha ps 0.0685 0.2509 0.5721
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0128 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0186 0.0517
Loa Loa (eye worm) hypothetical protein 0.0277 0.0935 0.1044
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0034 0.0027
Toxoplasma gondii subtilisin SUB9 0.0082 0.0181 0.0433
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0043 0.0034 0.0075
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0034 0.0027
Echinococcus granulosus kelch ECH associated protein 1 0.0092 0.0221 0.0503
Schistosoma mansoni tyrosine kinase 0.0094 0.023 0.0197
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0405 0.1428 0.2479
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Echinococcus granulosus integrin beta 2 0.0706 0.2589 0.5905
Mycobacterium ulcerans transcriptional regulator NrdR 0.005 0.0061 0.0112
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0034 0.0027
Leishmania major subtilisin-like serine peptidase 0.0082 0.0181 0.0447
Brugia malayi Reprolysin 0.0105 0.0273 0.0473
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Schistosoma mansoni integrin beta subunit 0.0558 0.2022 0.1995
Loa Loa (eye worm) hypothetical protein 0.0237 0.0781 0.0871
Schistosoma mansoni integrin alpha 0.1527 0.5761 0.5746
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0121 0.0332 0.0986
Echinococcus granulosus furin 0.0492 0.1766 0.4027
Brugia malayi Subtilase family protein 0.0082 0.0181 0.0313
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0026 0.0077
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.0221 0.0503
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0237 0.0781 0.2197
Onchocerca volvulus 0.0124 0.0344 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0897 0.3328 1
Loa Loa (eye worm) hypothetical protein 0.0356 0.1242 0.1387
Loa Loa (eye worm) integrin alpha pat-2 0.2354 0.8953 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0142 0.0413 0.094
Loa Loa (eye worm) beta-lactamase 0.0043 0.0034 0.0037
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1241
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0124 0.0344 0.0312
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0142 0.0413 0.1151
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0082 0.0181 0.05
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Echinococcus granulosus membrane bound transcription factor site 1 0.0082 0.0181 0.0411
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.0221 0.0503
Schistosoma mansoni hypothetical protein 0.0068 0.0128 0.0095
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0165 0.0501 0.153
Plasmodium falciparum plasmepsin X 0.0124 0.0344 0.0866
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0337 0.1166 0.2659
Plasmodium falciparum subtilisin-like protease 2 0.0082 0.0181 0.0383

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8199 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.