Detailed information for compound 1453471

Basic information

Technical information
  • TDR Targets ID: 1453471
  • Name: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroiso indol-2-yl)-N-(phenylmethyl)propanamide
  • MW: 346.808 | Formula: C18H19ClN2O3
  • H donors: 1 H acceptors: 3 LogP: 1.96 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC1=CCC2C(C1)C(=O)N(C2=O)C(C(=O)NCc1ccccc1)C
  • InChi: 1S/C18H19ClN2O3/c1-11(16(22)20-10-12-5-3-2-4-6-12)21-17(23)14-8-7-13(19)9-15(14)18(21)24/h2-7,11,14-15H,8-10H2,1H3,(H,20,22)
  • InChiKey: DNAWEMWOSXVNKG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(benzyl)-2-(5-chloro-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)propionamide
  • AL-281/41935316
  • MLS000099620
  • N-benzyl-2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propanamide
  • SMR000074405

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0721 0.5457
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0006 0.0022 0.0022
Trypanosoma cruzi metacaspase, putative 0.0032 0.056 0.6857
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.012 0.2355 0.2355
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0046
Echinococcus multilocularis caspase 8 0.0032 0.056 0.056
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0036 0.0036
Schistosoma mansoni caspase-7 (C14 family) 0.012 0.2355 0.2355
Leishmania major metacaspase, putative 0.0032 0.056 0.4238
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0105 0.0134
Onchocerca volvulus 0.0035 0.0613 0.2094
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0154 0.0154
Echinococcus multilocularis caspase 3 0.0088 0.1699 0.1699
Brugia malayi MH2 domain containing protein 0.001 0.0105 0.0134
Brugia malayi hypothetical protein 0.0006 0.0036 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0154 0.0196
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0154 0.0154
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0022 0.0022
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0022 0.0022
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1095 0.1396
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0036 0.0036
Brugia malayi follicle stimulating hormone receptor 0.028 0.5621 0.7168
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0154 0.0154
Onchocerca volvulus 0.0012 0.0154 0.0526
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0046
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5741 0.5741
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0081 0.0081
Loa Loa (eye worm) tumor suppressor 0.0388 0.7842 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.132 0.132
Trypanosoma brucei metacaspase 0.0032 0.056 0.6857
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0816 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0036 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0154 0.0196
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0154 0.0526
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.132 1
Schistosoma mansoni zinc finger protein 0.0006 0.0022 0.0022
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0006 0.0022 0.0076
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0816 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0006 0.0022 0.0028
Schistosoma mansoni smad 0.001 0.0105 0.0105
Brugia malayi MH2 domain containing protein 0.001 0.0105 0.0134
Brugia malayi CXXC zinc finger family protein 0.0035 0.0613 0.0782
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0006 0.0022 0.0076
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0154 0.0526
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Brugia malayi ecdysteroid receptor 0.0012 0.0154 0.0196
Schistosoma mansoni Smad4 0.001 0.0105 0.0105
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0036 0.0046
Schistosoma mansoni smad1 5 8 and 0.001 0.0105 0.0105
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0154 0.0196
Brugia malayi MH2 domain containing protein 0.0144 0.2851 0.3636
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0022 0.0028
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1408 0.1408
Echinococcus granulosus hypothetical protein 0.0033 0.0576 0.0576
Echinococcus granulosus Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Echinococcus granulosus caspase 3 0.0088 0.1699 0.1699
Echinococcus granulosus nuclear receptor nhr 48 0.0006 0.0022 0.0022
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0613 0.0782
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0154 0.0196
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0154 0.0196
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0006 0.0022 0.0028
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0154 0.0196
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0154 0.0196
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Brugia malayi ecdysone receptor 0.0006 0.0022 0.0028
Trypanosoma brucei metacaspase 5, putative 0.0032 0.056 0.6857
Brugia malayi MH1 domain containing protein 0.0005 0.0015 0.002
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0154 0.0154
Trypanosoma cruzi metacaspase, putative 0.0032 0.056 0.6857
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0154 0.0196
Brugia malayi nuclear receptor NHR-67 0.0006 0.0022 0.0028
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0105 0.0105
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Brugia malayi hypothetical protein 0.0006 0.0022 0.0028
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0154 0.0154
Schistosoma mansoni hypothetical protein 0.0033 0.0576 0.0576
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.132 0.132
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.2928 0.3734
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0154 0.0196
Onchocerca volvulus 0.0006 0.0022 0.0076
Brugia malayi conserved hypotetical protein 0.0006 0.0022 0.0028
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0154 0.0196
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.012 0.2355 0.2355
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Plasmodium vivax hypothetical protein, conserved 0.0032 0.056 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1225 0.1562
Trypanosoma cruzi metacaspase, putative 0.0032 0.056 0.6857
Brugia malayi Temporarily assigned gene name protein 44 0.0033 0.0576 0.0735
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0006 0.0006
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.056 0.4486
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Schistosoma mansoni nuclear receptor 0.0006 0.0022 0.0022
Brugia malayi Inositol-1 0.0045 0.0816 0.1041
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.056 0.056
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Loa Loa (eye worm) hypothetical protein 0.0032 0.056 0.0714
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0036 0.0036
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0816 0.6542
Trypanosoma brucei metacaspase MCA2 0.0032 0.056 0.6857
Echinococcus multilocularis nuclear receptor nhr 48 0.0006 0.0022 0.0022
Chlamydia trachomatis 3'(2'),5'-bisphosphate nucleotidase CysQ 0.0005 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0154 0.0154
Giardia lamblia Hypothetical protein 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0816 1
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Trypanosoma cruzi metacaspase, putative 0.0032 0.056 0.6857
Brugia malayi MH1 domain containing protein 0.0005 0.0015 0.002
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0121 0.0154
Plasmodium falciparum metacaspase 1 0.0032 0.056 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0154 0.0196
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0154 0.0196
Echinococcus granulosus thyroid hormone receptor alpha 0.0006 0.0022 0.0022
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.132 0.1684
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.132 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0154 0.0196
Onchocerca volvulus 0.0006 0.0022 0.0076
Brugia malayi nuclear receptor NHR-88 0.0006 0.0022 0.0028
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.056 0.4486
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Brugia malayi hypothetical protein 0.0286 0.5741 0.7321
Brugia malayi MH1 domain containing protein 0.001 0.0105 0.0134
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Loa Loa (eye worm) DR-78 0.0006 0.0022 0.0028
Loa Loa (eye worm) hypothetical protein 0.0148 0.2928 0.3734
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0154 0.0196
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0154 0.0196
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0105 0.0105
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0124 0.0124
Loa Loa (eye worm) nuclear factor I 0.0005 0.0015 0.002
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0036 0.0046
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0124 0.0158
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Onchocerca volvulus Cell death protein 3 homolog 0.0032 0.056 0.1911
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0032 0.056 0.0714
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5741 0.5741
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 1
Brugia malayi nuclear hormone receptor 0.0006 0.0022 0.0028
Brugia malayi Nuclear hormone receptor E75 0.0006 0.0022 0.0028
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0022 0.0022
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.132 1
Schistosoma mansoni nuclear receptor 0.0006 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Echinococcus multilocularis smad 0.001 0.0105 0.0105
Schistosoma mansoni hypothetical protein 0.0494 1 1
Loa Loa (eye worm) inositol-1 0.0045 0.0816 0.1041
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0012 0.0154 0.0196
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0154 0.0154
Brugia malayi nuclear hormone receptor 0.0012 0.0154 0.0196
Loa Loa (eye worm) hypothetical protein 0.0033 0.0576 0.0735
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Echinococcus granulosus smad 0.001 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0046
Plasmodium falciparum metacaspase-like protein 0.0032 0.056 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0006 0.0022 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0154 0.0196
Schistosoma mansoni caspase-3 (C14 family) 0.012 0.2355 0.2355
Brugia malayi hypothetical protein 0.0006 0.0036 0.0046
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.056 0.6857
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0154 0.0196
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0006 0.0022 0.0022
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Brugia malayi Smad1 0.001 0.0105 0.0134
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0105 0.0105
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.056 0.4486
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0154 0.0196
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2851 0.3636
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.5621 0.7168
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0154 0.0154
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0154 0.0196
Brugia malayi nuclear receptor NHR-88 0.0012 0.0154 0.0196
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0154 0.0154
Loa Loa (eye worm) nuclear receptor NHR-67 0.0006 0.0022 0.0028
Schistosoma mansoni survival motor neuron protein 0.0058 0.1095 0.1095
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Schistosoma mansoni smad1 5 8 and 0.001 0.0105 0.0105
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0006 0.0022 0.0022
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0154 0.0196
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.056 0.0714
Echinococcus multilocularis caspase 0.012 0.2355 0.2355
Onchocerca volvulus 0.0058 0.1095 0.3739
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0065 0.0797
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0154 0.0154
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0154 0.0154
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0154 0.0154
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.056 0.056
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0154 0.0196
Echinococcus multilocularis protein quaking 0.0033 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0058 0.1095 0.1095
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0033 0.0576 0.0576
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0022 0.0022
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0154 0.0196
Brugia malayi orphan nuclear receptor NR2E1 0.0006 0.0022 0.0028
Echinococcus multilocularis Smad4 0.001 0.0105 0.0105
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0065 0.0797
Brugia malayi tailless protein 0.0006 0.0022 0.0028
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0154 0.0154
Schistosoma mansoni smad1 5 8 and 0.001 0.0105 0.0105
Echinococcus granulosus cpg binding protein 0.0037 0.0654 0.0654
Echinococcus granulosus caspase 0.012 0.2355 0.2355
Brugia malayi steroid hormone receptor 0.0012 0.0154 0.0196
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0154 0.0154
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0816 0.0816
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0816 1
Brugia malayi nuclear receptor RXR 0.0006 0.0036 0.0046
Brugia malayi Cell death protein 3 precursor 0.0032 0.056 0.0714
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2851 0.3636
Trypanosoma brucei Metacaspase-4 0.0032 0.056 0.6857
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.056 0.6857
Brugia malayi nuclear hormone receptor family member odr-7 0.0006 0.0022 0.0028
Schistosoma mansoni inositol monophosphatase 0.0045 0.0816 0.0816
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0154 0.0526
Brugia malayi hypothetical protein 0.0148 0.2928 0.3734
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Echinococcus multilocularis caspase 2 0.0032 0.056 0.056
Plasmodium vivax metacaspase 1, putative 0.0032 0.056 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0154 0.0196
Schistosoma mansoni cpg binding protein 0.0037 0.0654 0.0654
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0154 0.0154
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Brugia malayi hypothetical protein 0.0033 0.0576 0.0735
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0006 0.0022 0.0028
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0816 0.6181
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0105 0.0134
Schistosoma mansoni coup transcription factor 0.0012 0.0154 0.0154
Echinococcus granulosus protein quaking 0.0033 0.0576 0.0576
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Loa Loa (eye worm) hypothetical protein 0.0286 0.5741 0.7321
Onchocerca volvulus Huntingtin homolog 0.0148 0.2928 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0065 0.0797
Echinococcus granulosus Nuclear hormone receptor HR96 0.0006 0.0022 0.0022
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0154 0.0154
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0154 0.0196
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0006 0.0036 0.0046
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0154 0.0154
Trypanosoma brucei metacaspase MCA3 0.0032 0.056 0.6857
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0154 0.0154
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.056 0.6857
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0816 0.6181
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.132 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.2928 1
Brugia malayi MH1 domain containing protein 0.001 0.0105 0.0134
Schistosoma mansoni cpg binding protein 0.0035 0.0613 0.0613
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0105 0.0105
Echinococcus granulosus caspase 8 0.0032 0.056 0.056
Echinococcus multilocularis cpg binding protein 0.0037 0.0654 0.0654
Echinococcus granulosus caspase 2 0.0032 0.056 0.056
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.056 0.6857
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0006 0.0022 0.0022
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Loa Loa (eye worm) Smad1 0.001 0.0105 0.0134
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.002
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0081 0.0081
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0022 0.0022
Trichomonas vaginalis helicase, putative 0.0008 0.0065 0.0797
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0816 0.0816
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1247 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028
Brugia malayi nuclear receptor RXR 0.0006 0.0022 0.0028
Loa Loa (eye worm) nuclear hormone receptor 0.0006 0.0022 0.0028
Brugia malayi hypothetical protein 0.0006 0.0022 0.0028
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0721 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.132 0.132
Echinococcus granulosus Smad4 0.001 0.0105 0.0105
Brugia malayi tumor suppressor. 0.0388 0.7842 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0022 0.0028

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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