Detailed information for compound 1704414

Basic information

Technical information
  • TDR Targets ID: 1704414
  • Name: 4-(4-chlorobenzoyl)-N-(2-methylpropyl)piperid ine-1-carbothioamide
  • MW: 338.895 | Formula: C17H23ClN2OS
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNC(=S)N1CCC(CC1)C(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C17H23ClN2OS/c1-12(2)11-19-17(22)20-9-7-14(8-10-20)16(21)13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3,(H,19,22)
  • InChiKey: BDHYAOZFOYTZLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorobenzoyl)-N-isobutyl-piperidine-1-carbothioamide
  • 4-[(4-chlorophenyl)-oxomethyl]-N-isobutyl-1-piperidinecarbothioamide
  • 4-(4-chlorophenyl)carbonyl-N-(2-methylpropyl)piperidine-1-carbothioamide
  • 4-(4-Chloro-benzoyl)-piperidine-1-carbothioic acid isobutyl-amide
  • ASN 06583763
  • ZINC01336754

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0096 0.0371 0.1148
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0534 0.311 0.4856
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0096 0.0371 0.0983
Mycobacterium ulcerans Sir2-like regulatory protein 0.0049 0.0072 0.0063
Echinococcus multilocularis insulin receptor 0.0097 0.0376 0.0774
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.037 0.2084 0.7351
Plasmodium falciparum plasmepsin VIII, putative 0.0064 0.0168 0.0137
Plasmodium falciparum plasmepsin V 0.0064 0.0168 0.0137
Trypanosoma cruzi N-myristoyl transferase, putative 0.0186 0.0929 0.282
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0096 0.0371 0.0452
Loa Loa (eye worm) SRC-1 0.0044 0.0046 0.0046
Loa Loa (eye worm) aspartyl protease 6 0.0064 0.0168 0.0168
Loa Loa (eye worm) hypothetical protein 0.0041 0.0025 0.0025
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Brugia malayi ribonucleotide reductase 2 0.0135 0.0614 0.0959
Plasmodium vivax aspartyl protease, putative 0.0064 0.0168 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0371 0.1091
Schistosoma mansoni tyrosine kinase 0.0163 0.0786 0.096
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0096 0.0371 0.0763
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Loa Loa (eye worm) hypothetical protein 0.0101 0.0398 0.0398
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0096 0.0371 0.0452
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Loa Loa (eye worm) hypothetical protein 0.0247 0.1317 0.1317
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus integrin alpha ps 0.0475 0.2743 0.5649
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0186 0.0929 1
Echinococcus multilocularis adam 0.0117 0.0502 0.1033
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Mycobacterium leprae conserved hypothetical protein 0.0048 0.0069 0.0053
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0096 0.0371 0.1101
Echinococcus granulosus chromatin regulatory protein sir2 0.0049 0.0072 0.0148
Plasmodium vivax plasmepsin V, putative 0.0064 0.0168 0.0137
Brugia malayi Guanylate kinase family protein 0.0055 0.0113 0.0177
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0096 0.0371 0.0452
Echinococcus granulosus neuroendocrine convertase 2 0.0096 0.0371 0.0763
Schistosoma mansoni N-myristoyltransferase 0.0186 0.0929 0.1134
Echinococcus granulosus disks large 3 0.0047 0.006 0.0124
Schistosoma mansoni memapsin-2 (A01 family) 0.1324 0.8056 0.9833
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0186 0.0929 0.1047
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0096 0.0371 0.1148
Loa Loa (eye worm) hypothetical protein 0.0064 0.0168 0.0168
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Toxoplasma gondii subtilisin SUB8 0.0096 0.0371 0.0359
Echinococcus multilocularis neuroendocrine convertase 2 0.0096 0.0371 0.0763
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.037 0.2084 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0096 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0371 0.1091
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.0046 0.0094
Loa Loa (eye worm) transcriptional regulator 0.0049 0.0072 0.0072
Brugia malayi Pepsin A precursor 0.0064 0.0168 0.0263
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.0135 0.0614 0.1794
Toxoplasma gondii aspartyl protease ASP3 0.0064 0.0168 0.0116
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0486 0.2809 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0186 0.0929 0.1913
Echinococcus multilocularis integrin alpha ps 0.0475 0.2743 0.5649
Leishmania major N-myristoyl transferase, putative 0.0186 0.0929 0.282
Echinococcus multilocularis 0.0096 0.0371 0.0763
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0175 0.0861 0.289
Echinococcus multilocularis TNFR CD27 30 40 95 cysteine rich region 0.0044 0.0044 0.009
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0534 0.311 1
Trypanosoma brucei N-myristoyltransferase 0.0186 0.0929 0.2861
Echinococcus multilocularis palmitoyl protein thioesterase 1 0.0087 0.0314 0.0647
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0135 0.0614 0.1265
Plasmodium vivax aspartyl protease, putative 0.0064 0.0168 0.0137
Loa Loa (eye worm) hypothetical protein 0.0064 0.0168 0.0168
Loa Loa (eye worm) endoprotease bli-4 0.0096 0.0371 0.0371
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.037 0.2084 0.7351
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0096 0.0371 0.0983
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.0046 0.0094
Loa Loa (eye worm) subtilase 0.0096 0.0371 0.0371
Echinococcus granulosus tyrosine protein kinase Lyn 0.0044 0.0046 0.0094
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0064 0.0168 0.0116
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.037 0.2084 0.4291
Plasmodium vivax subtilisin-like protease 1 0.1379 0.8403 1
Echinococcus granulosus furin 0.0096 0.0371 0.0763
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Mycobacterium ulcerans transcriptional regulator NrdR 0.0048 0.0069 0.0053
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus epidermal growth factor receptor 0.0302 0.1658 0.3414
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.009 0.0329 0.0677
Schistosoma mansoni tyrosine kinase 0.0044 0.0046 0.0056
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.1785
Echinococcus multilocularis integrin alpha 3 0.0813 0.4856 1
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0096 0.0371 0.1035
Schistosoma mansoni integrin alpha-ps 0.0247 0.1317 0.1607
Plasmodium falciparum subtilisin-like protease 1 0.1379 0.8403 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Toxoplasma gondii subtilisin SUB2 0.0096 0.0371 0.0359
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0486 0.2809 1
Brugia malayi proprotein convertase 2 0.0096 0.0371 0.0578
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.009 0.0329 0.0401
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.0046 0.0094
Schistosoma mansoni tyrosine kinase 0.016 0.0769 0.0938
Schistosoma mansoni tyrosine kinase 0.0163 0.0786 0.096
Trypanosoma brucei N-myristoyl transferase, putative 0.0186 0.0929 0.2861
Loa Loa (eye worm) guanylate kinase 0.0042 0.0033 0.0033
Schistosoma mansoni cathepsin D (A01 family) 0.0194 0.0984 0.1201
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0534 0.311 1
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0486 0.2809 1
Toxoplasma gondii subtilisin SUB7 0.0096 0.0371 0.0359
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0135 0.0614 0.1991
Schistosoma mansoni tyrosine kinase 0.0097 0.0376 0.0459
Plasmodium falciparum plasmepsin II 0.0101 0.0398 0.0412
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0049 0.0072 0.0021
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0096 0.0371 0.1101
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus membrane bound transcription factor site 1 0.0096 0.0371 0.0763
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Schistosoma mansoni cathepsin D (A01 family) 0.0194 0.0984 0.1201
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0101 0.0398 0.1192
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Brugia malayi transcriptional regulator, Sir2 family protein 0.0049 0.0072 0.0112
Echinococcus multilocularis epidermal growth factor receptor 0.0302 0.1658 0.3414
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0096 0.0371 0.0578
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1346 0.8193 1
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0135 0.0614 0.1832
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.037 0.2084 0.7351
Mycobacterium ulcerans NAD-dependent deacetylase 0.0049 0.0072 0.0063
Toxoplasma gondii subtilisin SUB12 0.0096 0.0371 0.0359
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Brugia malayi Reprolysin 0.0052 0.0096 0.015
Echinococcus multilocularis integrin alpha ps 0.0228 0.1194 0.2458
Toxoplasma gondii subtilisin SUB1 0.1379 0.8403 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0534 0.311 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.1785
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Schistosoma mansoni site-1 peptidase (S08 family) 0.0096 0.0371 0.0452
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Echinococcus granulosus epidermal growth factor receptor 0.0163 0.0786 0.1619
Toxoplasma gondii aspartyl protease 0.0064 0.0168 0.0116
Plasmodium vivax subtilisin-like protease 2, putative 0.0096 0.0371 0.0379
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.037 0.2084 0.7351
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.0046 0.0094
Plasmodium falciparum plasmepsin VI 0.0101 0.0398 0.0412
Loa Loa (eye worm) transcriptional regulator 0.0049 0.0072 0.0072
Echinococcus multilocularis Furin 1 0.0096 0.0371 0.0763
Plasmodium vivax aspartyl protease, putative 0.0064 0.0168 0.0137
Toxoplasma gondii subtilisin SUB5 0.0096 0.0371 0.0359
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Loa Loa (eye worm) hypothetical protein 0.037 0.2084 0.2084
Schistosoma mansoni hypothetical protein 0.0228 0.1194 0.1457
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0096 0.0371 0.1148
Loa Loa (eye worm) proprotein convertase 2 0.0096 0.0371 0.0371
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0245 0.1299 0.1586
Plasmodium falciparum plasmepsin VII 0.0064 0.0168 0.0137
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0101 0.0398 0.0819
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0101 0.0398 0.0391
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Plasmodium falciparum plasmepsin X 0.0064 0.0168 0.0137
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0096 0.0371 0.0763
Loa Loa (eye worm) hypothetical protein 0.0228 0.1194 0.1194
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0096 0.0371 0.1148
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0144 0.0144
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0096 0.0371 0.0983
Schistosoma mansoni integrin alpha-ps 0.0475 0.2743 0.3348
Plasmodium vivax aspartyl proteinase, putative 0.0064 0.0168 0.0137
Plasmodium falciparum subtilisin-like protease 2 0.0096 0.0371 0.0379
Loa Loa (eye worm) hypothetical protein 0.0802 0.4788 0.4788
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0049 0.0072 0.0148
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Schistosoma mansoni site-1 peptidase (S08 family) 0.0096 0.0371 0.0452
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0135 0.0614 0.0651
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0534 0.311 1
Brugia malayi hypothetical protein 0.0064 0.0168 0.0263
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Echinococcus multilocularis membrane bound transcription factor site 1 0.0096 0.0371 0.0763
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Echinococcus granulosus Furin 1 0.0096 0.0371 0.0763
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0096 0.0371 0.1101
Plasmodium falciparum subtilisin-like protease 3 0.0096 0.0371 0.0379
Schistosoma mansoni chromatin regulatory protein sir2 0.037 0.2084 0.2543
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0049 0.0072 0.0148
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus multilocularis 0.0093 0.035 0.0722
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.0046 0.0094
Loa Loa (eye worm) hypothetical protein 0.006 0.0144 0.0144
Brugia malayi transcriptional regulator, Sir2 family protein 0.0049 0.0072 0.0112
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Loa Loa (eye worm) TK/INSR protein kinase 0.0097 0.0376 0.0376
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.1832
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.1785
Echinococcus granulosus tumor necrosis factor receptor superfamily 0.0044 0.0044 0.009
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0025 0.0039
Brugia malayi Protein kinase domain containing protein 0.0097 0.0376 0.0587
Echinococcus multilocularis chromatin regulatory protein sir2 0.0049 0.0072 0.0148
Brugia malayi aspartic protease BmAsp-1, identical 0.0064 0.0168 0.0263
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0096 0.0371 0.1101
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus palmitoyl protein thioesterase 1 0.0087 0.0314 0.0647
Loa Loa (eye worm) lethal(1)discs large-1 tumor suppressor 0.0044 0.0044 0.0044
Schistosoma mansoni palmitoyl-protein thioesterase 0.0087 0.0314 0.0383
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.0046 0.0094
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0534 0.311 0.3796
Brugia malayi endoprotease bli-4 precursor 0.0096 0.0371 0.0578
Loa Loa (eye worm) TK/EGFR protein kinase 0.0302 0.1658 0.1658
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0144 0.0225
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0096 0.0371 0.1148
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.0046 0.0094
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.0671
Toxoplasma gondii subtilisin SUB6 0.0096 0.0371 0.0359
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0049 0.0072 0.0148
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0096 0.0371 0.0763
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.0046 0.0094
Brugia malayi ADAM-TS Spacer 1 family protein 0.0052 0.0096 0.0149
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0186 0.0929 0.1913
Plasmodium vivax subtilisin-like serine protease, putative 0.0096 0.0371 0.0379
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0486 0.2809 1
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0049 0.0072 0.0057
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0534 0.311 0.6405
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0049 0.0072 0.0148
Brugia malayi Integrin alpha pat-2 precursor 0.106 0.6405 1
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0371 0.1091
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.0671
Brugia malayi ADAMTS-like protease 0.0052 0.0096 0.0149
Schistosoma mansoni tumor necrosis factor receptor related 0.0044 0.0044 0.0053
Plasmodium vivax aspartyl proteinase, putative 0.0101 0.0398 0.0412
Toxoplasma gondii subtilisin SUB11 0.0096 0.0371 0.0359
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.0046 0.0094
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0049 0.0072 0.0011
Trypanosoma brucei SIR2-like protein 4, putative 0.0049 0.0072 0.0057
Schistosoma mansoni hypothetical protein 0.0041 0.0025 0.003
Loa Loa (eye worm) hypothetical protein 0.0585 0.3429 0.3429
Brugia malayi Furin-like cysteine rich region family protein 0.0302 0.1658 0.2588
Brugia malayi hypothetical protein 0.0117 0.0502 0.0783
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0097 0.0376 0.0774
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0135 0.0614 0.1991
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.037 0.2084 0.4291
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0163 0.0786 0.1619
Brugia malayi celfurPC protein 0.0096 0.0371 0.0578
Loa Loa (eye worm) transcriptional regulator 0.0049 0.0072 0.0072
Giardia lamblia CDC72 0.0186 0.0929 0.4259
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0135 0.0614 0.1265
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0096 0.0371 0.0578
Loa Loa (eye worm) palmitoyl-protein thioesterase 1 0.0087 0.0314 0.0314
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0096 0.0371 0.0763
Plasmodium vivax NAD-dependent deacetylase, putative 0.0049 0.0072 0.0021
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0135 0.0614 0.1832
Echinococcus multilocularis integrin alpha ps 0.0475 0.2743 0.5649
Brugia malayi SRC-1 0.0044 0.0046 0.0071
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0486 0.2809 1
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0064 0.0168 0.0168
Schistosoma mansoni tyrosine kinase 0.016 0.0769 0.0938
Toxoplasma gondii subtilisin SUB10 0.0096 0.0371 0.0359
Echinococcus multilocularis disks large 3 0.0047 0.006 0.0124
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.009 0.0329 0.0401
Echinococcus granulosus TNFR CD27 30 40 95 cysteine rich region 0.0044 0.0044 0.009
Onchocerca volvulus 0.0096 0.0371 1
Brugia malayi NAD-dependent deacetylase SIRT1 0.037 0.2084 0.3253
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0101 0.0398 0.0819
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Toxoplasma gondii subtilisin SUB4 0.0096 0.0371 0.0359
Trichomonas vaginalis N-myristoyl transferase, putative 0.0122 0.053 0.1676
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0534 0.311 0.6405
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.0046 0.0094
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0072 0.0021
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Brugia malayi Subtilase family protein 0.0096 0.0371 0.0578
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0144 0.0225
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Mycobacterium leprae Possible secreted protease 0.0096 0.0371 0.1148
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0049 0.0072 0.0021
Brugia malayi neuroendocrine convertase 1 precursor 0.0096 0.0371 0.0578
Leishmania major subtilisin-like serine peptidase 0.0096 0.0371 0.0983
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0371 0.1091
Brugia malayi N-myristoyltransferase 2 0.0186 0.0929 0.145
Toxoplasma gondii aspartyl protease ASP1 0.0101 0.0398 0.0391
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Loa Loa (eye worm) hypothetical protein 0.0096 0.0371 0.0371
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0101 0.0398 0.0398
Loa Loa (eye worm) reprolysin 0.009 0.0329 0.0329
Schistosoma mansoni integrin alpha 0.106 0.6405 0.7818
Plasmodium falciparum plasmepsin I 0.0101 0.0398 0.0412
Brugia malayi aspartic protease BmAsp-2, identical 0.0064 0.0168 0.0263
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0135 0.0614 0.075
Brugia malayi transcriptional regulator, Sir2 family protein 0.0049 0.0072 0.0112
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0149 0.07 0.2068
Toxoplasma gondii subtilisin SUB9 0.0096 0.0371 0.0359
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0064 0.0168 0.0206
Plasmodium falciparum plasmepsin IX 0.0064 0.0168 0.0137
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Brugia malayi hypothetical protein 0.0064 0.0168 0.0263
Echinococcus multilocularis epidermal growth factor receptor 0.0163 0.0786 0.1619
Trypanosoma cruzi subtilisin peptidase 0.0096 0.0371 0.0983
Loa Loa (eye worm) hypothetical protein 0.0321 0.1779 0.1779
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0534 0.311 0.311
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0049 0.0072 0.0148
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0534 0.311 0.3647
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0534 0.311 1
Echinococcus granulosus adam 0.0117 0.0502 0.1033
Loa Loa (eye worm) hypothetical protein 0.0052 0.0096 0.0096
Schistosoma mansoni cell polarity protein 0.0047 0.006 0.0073
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0135 0.0614 0.1832
Plasmodium falciparum plasmepsin III 0.0064 0.0168 0.0137
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0534 0.311 0.366
Schistosoma mansoni tyrosine kinase 0.016 0.0769 0.0938
Loa Loa (eye worm) hypothetical protein 0.0096 0.0371 0.0371
Loa Loa (eye worm) hypothetical protein 0.009 0.0329 0.0329
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Loa Loa (eye worm) sirtuin 4 0.0049 0.0072 0.0072
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0097 0.0376 0.0774
Schistosoma mansoni furin-1 (S08 family) 0.0096 0.0371 0.0452
Schistosoma mansoni tyrosine kinase 0.0044 0.0046 0.0056
Trypanosoma brucei subtilisin peptidase 0.0096 0.0371 0.1035
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0117 0.0502 0.0612
Loa Loa (eye worm) hypothetical protein 0.0832 0.4979 0.4979
Plasmodium vivax plasmepsin IV, putative 0.0101 0.0398 0.0412
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.0046 0.0094
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Echinococcus multilocularis tumor necrosis factor receptor superfamily 0.0044 0.0044 0.009
Trypanosoma cruzi N-myristoyl transferase, putative 0.0186 0.0929 0.282
Echinococcus granulosus subfamily M12B unassigned peptidase 0.009 0.0329 0.0677
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0101 0.0398 0.0486
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0802 0.4788 0.7476
Loa Loa (eye worm) N-myristoyltransferase 2 0.0186 0.0929 0.0929
Echinococcus granulosus integrin alpha ps 0.0228 0.1194 0.2458
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0135 0.0614 0.0614
Brugia malayi Palmitoyl-protein thioesterase 1 precursor 0.0087 0.0314 0.049
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0096 0.0371 0.1091
Schistosoma mansoni tyrosine kinase 0.0097 0.0376 0.0459
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0049 0.0072 0.0057
Echinococcus granulosus integrin alpha 3 0.0813 0.4856 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0186 0.0929 0.3131
Plasmodium falciparum plasmepsin IV 0.0101 0.0398 0.0412
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0135 0.0614 0.1785
Trichomonas vaginalis conserved hypothetical protein 0.0096 0.0371 0.1091
Brugia malayi Eukaryotic aspartyl protease family protein 0.0064 0.0168 0.0263
Schistosoma mansoni tyrosine kinase 0.0302 0.1658 0.2023
Brugia malayi angiogenesis inhibito 0.0052 0.0096 0.0149
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0186 0.0929 0.1047
Echinococcus granulosus insulin receptor 0.0097 0.0376 0.0774
Schistosoma mansoni chromatin regulatory protein sir2 0.0049 0.0072 0.0088
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0049 0.0072 0.0148
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0096 0.0371 0.0452
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0534 0.311 0.366

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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.

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