Detailed information for compound 1625688

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.452 | Formula: C19H20N4O3S
  • H donors: 2 H acceptors: 3 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)CCCCc1nc(c([nH]1)c1ccc2c(c1)OCO2)c1scc(n1)C
  • InChi: 1S/C19H20N4O3S/c1-11-9-27-19(21-11)18-17(12-6-7-13-14(8-12)26-10-25-13)22-16(23-18)5-3-2-4-15(20)24/h6-9H,2-5,10H2,1H3,(H2,20,24)(H,22,23)
  • InChiKey: NDTKKBLTRAUUOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens activin A receptor, type IB Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus multilocularis TGF beta receptor type 1 Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma japonicum ko:K04674 transforming growth factor, beta receptor I, putative Get druggable targets OG5_129709 All targets in OG5_129709
Brugia malayi bone morphogenetic protein type 1 receptor Get druggable targets OG5_129709 All targets in OG5_129709
Schistosoma mansoni protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
Echinococcus granulosus TGF-beta receptor type-1 Get druggable targets OG5_129709 All targets in OG5_129709
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase Get druggable targets OG5_129709 All targets in OG5_129709
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
Onchocerca volvulus 0.0027 0.0438 0.0766
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0027 0.0024
Loa Loa (eye worm) hypothetical protein 0.0086 0.2009 0.3278
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0022 0.0312 0.1238
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0074 0.1689 0.2754
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Onchocerca volvulus 0.0223 0.5688 1
Leishmania major developmentally regulated phosphoprotein-like protein 0.024 0.6123 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0013 0.0073 0.0123
Schistosoma mansoni coup transcription factor 0.0012 0.0027 0.0024
Loa Loa (eye worm) hypothetical protein 0.0022 0.0312 0.0506
Trichomonas vaginalis esterase, putative 0.0039 0.0772 0.1352
Onchocerca volvulus 0.0022 0.0312 0.0544
Echinococcus multilocularis cpg binding protein 0.0029 0.048 0.0477
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0259
Onchocerca volvulus 0.0039 0.0772 0.1352
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0312 0.1238
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0312 0.0396
Echinococcus multilocularis heat shock protein 0.0013 0.0073 0.007
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0013 0.0073 0.0123
Trichomonas vaginalis chromobox protein, putative 0.004 0.0773 0.1354
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0097 0.2312 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0027 0.0039
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0084 0.1956 0.3113
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.003 0.0506 0.252
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0027 0.0039
Plasmodium vivax hypothetical protein, conserved 0.0013 0.0073 0.0362
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0017 0.0163 0.016
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0027 0.0024
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0027 0.0024
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0027 0.0024
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0196 0.4965 0.8108
Brugia malayi kinase, mitochondrial precursor 0.024 0.6123 1
Echinococcus granulosus Chromobox protein 3 0.0011 0.0003 0.000000031446
Toxoplasma gondii DNA topoisomerase 2, putative 0.0013 0.0073 0.0302
Schistosoma mansoni peptidase Clp (S14 family) 0.0086 0.2009 0.2006
Brugia malayi Heterochromatin protein 1 0.0066 0.1468 0.2394
Entamoeba histolytica acyl-coA synthetase, putative 0.0022 0.0312 0.4029
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0044 0.0041
Echinococcus multilocularis jumonji domain containing protein 0.0038 0.0736 0.0734
Loa Loa (eye worm) acetyltransferase 0.0136 0.336 0.5486
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.0449 0.1933
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0044 0.0067
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0027 0.0024
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0013 0.0073 0.0123
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0027 0.0449 0.0446
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0027 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0412 0.0719
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2009 0.8686
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0027 0.0024
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0136 0.336 0.3358
Echinococcus granulosus cpg binding protein 0.0029 0.048 0.0477
Echinococcus multilocularis chromobox protein 1 0.0066 0.1468 0.1465
Echinococcus granulosus chromobox protein 1 0.0066 0.1468 0.1465
Schistosoma mansoni hypothetical protein 0.0027 0.0449 0.0446
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0027 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0027 0.0039
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Plasmodium falciparum heat shock protein 90 0.0013 0.0073 0.0362
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.2199 0.3588
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0645 0.0642
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0027 0.0039
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0312 0.1238
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0483 0.048
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0027 0.0039
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.0084 0.1956 0.8457
Brugia malayi RNA binding protein 0.0069 0.1573 0.2566
Plasmodium falciparum phd finger protein, putative 0.0027 0.0449 0.2237
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0772 0.1095
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0772 0.1352
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0772 0.0769
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0772 0.3842
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0483 0.2077
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0167 0.0288
Brugia malayi Probable DNA topoisomerase II 0.0013 0.0073 0.0114
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0259
Loa Loa (eye worm) hypothetical protein 0.0027 0.0449 0.0729
Echinococcus multilocularis lysine specific demethylase 5A 0.0033 0.0604 0.0601
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0259
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2199 0.2196
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0772 0.1352
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0771 0.0768
Loa Loa (eye worm) hypothetical protein 0.0013 0.0073 0.0114
Trichomonas vaginalis chromobox protein, putative 0.0066 0.1468 0.2577
Echinococcus granulosus tar DNA binding protein 0.0069 0.1573 0.1571
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0191 0.4826 0.7881
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0027 0.0024
Mycobacterium ulcerans lipase LipD 0.0039 0.0772 0.3611
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0013 0.0073 0.0114
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0162 0.046
Entamoeba histolytica acetyltransferase, GNAT family 0.0037 0.0699 0.9058
Loa Loa (eye worm) hypothetical protein 0.0047 0.0973 0.1585
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.1573 0.2566
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0483 0.048
Loa Loa (eye worm) hypothetical protein 0.0029 0.0486 0.0789
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0312 0.4029
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0027 0.0024
Loa Loa (eye worm) hypothetical protein 0.024 0.6123 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0483 0.2403
Echinococcus granulosus heat shock protein 0.0013 0.0073 0.007
Plasmodium vivax heterochromatin protein 1, putative 0.0011 0.0003 0.0015
Onchocerca volvulus 0.0012 0.0027 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0027 0.0039
Plasmodium falciparum endoplasmin, putative 0.0013 0.0073 0.0362
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0013 0.0073 0.0123
Loa Loa (eye worm) hypothetical protein 0.0022 0.0312 0.0506
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0027 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0772 0.1352
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0137 0.0101
Brugia malayi hypothetical protein 0.0039 0.0771 0.1255
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0312 0.0506
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0027 0.0024
Plasmodium falciparum DNA gyrase subunit B 0.0013 0.0073 0.0362
Schistosoma mansoni heat shock protein 0.0013 0.0073 0.007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0137 0.0101
Schistosoma mansoni cpg binding protein 0.0029 0.048 0.0477
Entamoeba histolytica hypothetical protein 0.0039 0.0771 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0772 0.1352
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.024 0.6123 0.6121
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0027 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0027 0.0039
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.024 0.6123 0.6121
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0772 0.0769
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0074 0.1689 0.2754
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Echinococcus granulosus activin receptor type 0.0086 0.2027 0.2025
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0312 0.0506
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1573 0.1571
Entamoeba histolytica hypothetical protein 0.0039 0.0771 1
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0013 0.0073 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0027 0.0039
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0312 0.0506
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0017 0.0167 0.0288
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0027 0.0042
Brugia malayi CHD4 protein 0.0012 0.0044 0.0067
Trichomonas vaginalis chromobox protein, putative 0.0066 0.1468 0.2577
Echinococcus multilocularis chromobox protein 1 0.0066 0.1468 0.1465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0027 0.0024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0027 0.0024
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.0788 0.0785
Toxoplasma gondii heat shock protein HSP90 0.0013 0.0073 0.0302
Entamoeba histolytica hypothetical protein 0.0039 0.0771 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0013 0.0073 0.0302
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.003 0.0506 0.252
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Echinococcus granulosus histone acetyltransferase KAT2B 0.0133 0.3258 0.3256
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0772 0.3611
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0056 0.1219 0.1795
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0698 0.1223
Schistosoma mansoni chromobox protein 0.0066 0.1468 0.1465
Trichomonas vaginalis bromodomain-containing protein, putative 0.004 0.0788 0.1381
Loa Loa (eye worm) endoplasmin 0.0013 0.0073 0.0114
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.009 0.2117 0.2115
Brugia malayi nuclear receptor NHR-88 0.0012 0.0027 0.0039
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1624 0.1621
Loa Loa (eye worm) hypothetical protein 0.0029 0.0483 0.0784
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.0788 0.3399
Toxoplasma gondii PHD-finger domain-containing protein 0.0027 0.0449 0.1933
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0027 0.0024
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0022 0.0312 0.1238
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0056 0.1219 0.1795
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0027 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0772 0.1352
Schistosoma mansoni endoplasmin 0.0013 0.0073 0.007
Brugia malayi Endoplasmin precursor 0.0013 0.0073 0.0114
Echinococcus multilocularis tar DNA binding protein 0.0069 0.1573 0.1571
Echinococcus multilocularis peregrin 0.0031 0.0539 0.0536
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0027 0.0024
Trichomonas vaginalis heat shock protein, putative 0.0013 0.0073 0.0123
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0162 0.046
Brugia malayi Protein kinase domain containing protein 0.0074 0.1689 0.2754
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.1573 0.2566
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0086 0.2009 0.2006
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0079 0.0133
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0013 0.0073 0.0123
Brugia malayi CXXC zinc finger family protein 0.0027 0.0438 0.0711
Entamoeba histolytica hypothetical protein 0.0039 0.0771 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.2199 0.3588
Mycobacterium ulcerans beta-lactamase 0.0039 0.0772 0.3611
Echinococcus multilocularis activin receptor type 0.0086 0.2027 0.2025
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0013 0.0073 0.0123
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0013 0.0073 0.0114
Schistosoma mansoni hypothetical protein 0.0039 0.0771 0.0768
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Loa Loa (eye worm) TAR-binding protein 0.0069 0.1573 0.2566
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0011 0.0003 0.0015
Brugia malayi hypothetical protein 0.0074 0.1681 0.2742
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0022 0.0312 0.1238
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0772 0.0769
Echinococcus multilocularis TGF beta receptor type 1 0.0191 0.4834 0.4832
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0027 0.0024
Echinococcus granulosus PHD finger protein rhinoceros 0.0027 0.0449 0.0446
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0771 0.0768
Schistosoma mansoni heat shock protein 0.0013 0.0073 0.007
Schistosoma mansoni endoplasmin 0.0013 0.0073 0.007
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0013 0.0073 0.0123
Plasmodium vivax endoplasmin, putative 0.0013 0.0073 0.0362
Brugia malayi SET domain containing protein 0.0012 0.0046 0.0071
Entamoeba histolytica heat shock protein 90, putative 0.0013 0.0073 0.0907
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0027 0.0039
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0027 0.0039
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0772 0.1095
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0772 0.1156
Plasmodium vivax DNA gyrase subunit B, putative 0.0013 0.0073 0.0362
Echinococcus granulosus TGF beta receptor type 1 0.0191 0.4834 0.4832
Echinococcus multilocularis peptidase Clp (S14 family) 0.0056 0.1219 0.1216
Loa Loa (eye worm) hypothetical protein 0.0022 0.0312 0.0506
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0027 0.0024
Echinococcus granulosus TGF-beta receptor type-1 0.0191 0.4834 0.4832
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0013 0.0073 0.0302
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0162 0.0139
Loa Loa (eye worm) hypothetical protein 0.0074 0.1681 0.2742
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0027 0.0042
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0204 0.0328
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0011 0.0003 0.0015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Brugia malayi TAR-binding protein 0.0069 0.1573 0.2566
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0091 0.0154
Echinococcus multilocularis Chromobox protein 3 0.0011 0.0003 0.000000031446
Plasmodium falciparum DNA topoisomerase 2 0.0013 0.0073 0.0362
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0027 0.0024
Echinococcus granulosus peptidase Clp S14 family 0.0056 0.1219 0.1216
Trichomonas vaginalis sensor histidine kinase, putative 0.0013 0.0073 0.0123
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0027 0.0039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0167 0.0288
Toxoplasma gondii ABC1 family protein 0.0039 0.0772 0.3329
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0013 0.0073 0.007
Brugia malayi jmjC domain containing protein 0.0035 0.0645 0.1049
Plasmodium vivax heat shock protein 86, putative 0.0013 0.0073 0.0362
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0136 0.336 0.3358
Mycobacterium ulcerans hypothetical protein 0.0039 0.0772 0.3611
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0027 0.0024
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0086 0.2009 1
Trichomonas vaginalis receptor histidine kinase, putative 0.0013 0.0073 0.0123
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0483 0.048
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0162 0.0805
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0137 0.0101
Onchocerca volvulus 0.0039 0.0772 0.1352
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0772 0.1095
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Schistosoma mansoni cpg binding protein 0.0029 0.048 0.0477
Echinococcus multilocularis dnaJ subfamily B 0.0385 1 1
Loa Loa (eye worm) TOPoisomerase family member 0.0013 0.0073 0.0114
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.024 0.6123 0.6121
Echinococcus multilocularis heat shock protein 90 0.0013 0.0073 0.007
Brugia malayi ecdysteroid receptor 0.0012 0.0027 0.0039
Mycobacterium ulcerans acyl-CoA synthetase 0.0022 0.0312 0.1238
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0084 0.1956 0.3113
Loa Loa (eye worm) PHD-finger family protein 0.0027 0.0449 0.0729
Echinococcus granulosus jumonji domain containing protein 0.0038 0.0736 0.0734
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0483 0.048
Trichomonas vaginalis endoplasmin, putative 0.0013 0.0073 0.0123
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0086 0.2027 0.2025
Loa Loa (eye worm) heat shock protein 90 0.0013 0.0073 0.0114
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0003 0.0015
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0772 0.3611
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.009 0.2117 0.2115
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0039 0.0769 0.0767
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2199 0.2196
Schistosoma mansoni chromobox protein 0.0066 0.1468 0.1465
Entamoeba histolytica acyl-CoA synthetase, putative 0.0022 0.0312 0.4029
Plasmodium falciparum heterochromatin protein 1 0.0011 0.0003 0.0015
Onchocerca volvulus Alhambra homolog 0.0027 0.0449 0.0785
Brugia malayi chromobox protein homolog 3 0.0037 0.0698 0.1136
Trypanosoma brucei developmentally regulated phosphoprotein 0.024 0.6123 1
Schistosoma mansoni cpg binding protein 0.0027 0.0438 0.0435
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.0438 0.0711
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0027 0.0024
Schistosoma mansoni pyruvate dehydrogenase 0.0226 0.5766 0.5765
Entamoeba histolytica DNA topoisomerase II, putative 0.0013 0.0073 0.0907
Entamoeba histolytica heat shock protein 90, putative 0.0013 0.0073 0.0907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0027 0.0039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0027 0.0039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2199 0.2196
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0086 0.2009 0.2006
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0772 0.1095
Brugia malayi protein C17H12.11 0.0074 0.1681 0.2742
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2199 0.2196
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0312 0.0396
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0772 0.1256
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0027 0.0039
Trichomonas vaginalis chromobox protein, putative 0.004 0.0773 0.1354
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0044 0.0041
Plasmodium vivax hypothetical protein, conserved 0.0027 0.0449 0.2237
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0772 0.1256
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1573 0.1571
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Brugia malayi Bromodomain containing protein 0.0031 0.0539 0.0875
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1573 0.1571
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0259
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0013 0.0073 0.0362
Mycobacterium tuberculosis Conserved protein 0.0039 0.0772 0.1095
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0027 0.0024
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0772 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0412 0.0719
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0771 0.0768
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0772 0.3611
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.0788 0.3399
Loa Loa (eye worm) heterochromatin protein 1 0.0066 0.1468 0.2394
Onchocerca volvulus 0.0039 0.0772 0.1352
Brugia malayi Pre-SET motif family protein 0.0029 0.0483 0.0784
Schistosoma mansoni hypothetical protein 0.0385 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0022 0.0312 0.0396
Loa Loa (eye worm) hypothetical protein 0.0017 0.0162 0.0259
Schistosoma mansoni DNA topoisomerase II 0.0013 0.0073 0.007
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0772 0.1095
Brugia malayi bone morphogenetic protein type 1 receptor 0.0191 0.4826 0.7881
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0027 0.0024
Brugia malayi Probable ClpP-like protease 0.0086 0.2009 0.3278
Leishmania major hypothetical protein, conserved 0.0039 0.0772 0.1156
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0044 0.0041
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.1201 0.5188
Mycobacterium leprae Probable lipase LipE 0.0039 0.0772 0.3611
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0027 0.0024
Toxoplasma gondii heat shock protein 90, putative 0.0013 0.0073 0.0302
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0027 0.0042
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0439 0.0436
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0645 0.1049
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0027 0.0024
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0645 0.0642
Echinococcus granulosus heat shock protein 90 0.0013 0.0073 0.007
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0037 0.0698 0.1223
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1573 0.1571
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0027 0.0039
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.024 0.6123 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0091 0.0154
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0772 0.1095
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0027 0.0024
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0022 0.0312 0.0375
Echinococcus granulosus peregrin 0.0031 0.0539 0.0536
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0086 0.2009 0.8686
Mycobacterium tuberculosis Conserved protein 0.0039 0.0772 0.1095
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.0788 0.3923
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Loa Loa (eye worm) RNA binding protein 0.0069 0.1573 0.2566
Schistosoma mansoni pyruvate dehydrogenase 0.024 0.6123 0.6121
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0013 0.0073 0.007
Brugia malayi acetyltransferase, GNAT family protein 0.0136 0.336 0.5486
Brugia malayi Pre-SET motif family protein 0.0196 0.4965 0.8108
Toxoplasma gondii hypothetical protein 0.003 0.0506 0.2179
Loa Loa (eye worm) hypothetical protein 0.0037 0.0698 0.1136
Schistosoma mansoni protein kinase 0.0191 0.4834 0.4832
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0027 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0027 0.0039
Loa Loa (eye worm) hypothetical protein 0.0013 0.0073 0.0114
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0022 0.0312 0.1238
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0027 0.0039
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0027 0.0039
Brugia malayi beta-lactamase family protein 0.0039 0.0772 0.1256
Trichomonas vaginalis DNA topoisomerase II, putative 0.0013 0.0073 0.0123
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.123 0.2005
Schistosoma mansoni pyruvate dehydrogenase 0.0226 0.5766 0.5765
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0483 0.048
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0027 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.0698 0.1223
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0252 0.6459 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0162 0.0805
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.003 0.0506 0.2239
Echinococcus multilocularis PHD finger protein rhinoceros 0.0027 0.0449 0.0446
Mycobacterium tuberculosis Conserved protein 0.0039 0.0772 0.1095
Plasmodium falciparum histone acetyltransferase GCN5 0.0037 0.0699 0.3478
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1573 0.1571
Schistosoma mansoni protein kinase 0.0086 0.202 0.2018
Trichomonas vaginalis heat shock protein, putative 0.0013 0.0073 0.0123
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0022 0.0312 0.1238
Onchocerca volvulus 0.0029 0.0486 0.085
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0645 0.0642
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0056 0.1219 0.5921
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0773 0.1354
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0027 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0027 0.0039
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.2199 0.2196
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0013 0.0073 0.0123
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.003 0.0506 0.2239
Brugia malayi PHD-finger family protein 0.0027 0.0449 0.0729
Onchocerca volvulus 0.0039 0.0769 0.1348
Plasmodium vivax DNA topoisomerase II, putative 0.0013 0.0073 0.0362
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0772 0.1156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.2199 0.2196
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0027 0.0039
Giardia lamblia Histone acetyltransferase GCN5 0.0037 0.0699 1
Loa Loa (eye worm) beta-lactamase 0.0039 0.0772 0.1256
Onchocerca volvulus 0.0011 0.0003 0.000000055302
Plasmodium vivax hypothetical protein, conserved 0.0011 0.0003 0.0015
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0027 0.0024
Brugia malayi heat shock protein 90 0.0013 0.0073 0.0114
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0137 0.0101
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0086 0.2009 1
Giardia lamblia PHD finger protein 15 0.0027 0.0449 0.6017
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0058 0.1276 0.1273
Brugia malayi steroid hormone receptor 0.0012 0.0027 0.0039
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.2199 0.2196
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.004 0.0788 0.1381
Echinococcus granulosus chromobox protein 1 0.0066 0.1468 0.1465
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.0084 0.1956 0.3113
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0483 0.048
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0022 0.0312 0.0375
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0086 0.2009 1
Brugia malayi beta-lactamase family protein 0.0039 0.0772 0.1256
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0027 0.0024
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0772 0.1095
Brugia malayi jmjC domain containing protein 0.009 0.2117 0.3454
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.0039
Trichomonas vaginalis set domain proteins, putative 0.0223 0.5688 1
Brugia malayi beta-lactamase 0.0039 0.0772 0.1256
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0772 0.1156
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0027 0.0024
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0022 0.0312 0.1238
Mycobacterium ulcerans hypothetical protein 0.0022 0.0312 0.1238
Brugia malayi nuclear hormone receptor 0.0012 0.0027 0.0039
Loa Loa (eye worm) hypothetical protein 0.0039 0.0772 0.1256

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 110 nM Inhibition of human recombinant GST-fused ALK5 using TMB substrate after 30 mins by ELISA ChEMBL. 22325945
IC50 (binding) = 730 nM Inhibition of human recombinant ALK5 activity in human A549 cells assessed as TGFbeta-induced smad2/3 phosphorylation after 2 hrs by fluorescence assay ChEMBL. 22325945

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.