Detailed information for compound 204341

Basic information

Technical information
  • TDR Targets ID: 204341
  • Name: 3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5- yl)benzonitrile
  • MW: 288.343 | Formula: C19H16N2O
  • H donors: 1 H acceptors: 2 LogP: 3.54 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cccc(c1)c1ccc2c(c1)C1(CCCC1)C(=O)N2
  • InChi: 1S/C19H16N2O/c20-12-13-4-3-5-14(10-13)15-6-7-17-16(11-15)19(18(22)21-17)8-1-2-9-19/h3-7,10-11H,1-2,8-9H2,(H,21,22)
  • InChiKey: QOLHBLXTCPSWBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2'-oxospiro[cyclopentane-1,3'-indoline]-5'-yl)benzonitrile
  • 3-(2'-oxo-5'-spiro[cyclopentane-1,3'-indoline]yl)benzonitrile
  • 3-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenecarbonitrile
  • 3-(2'-ketospiro[cyclopentane-1,3'-indoline]-5'-yl)benzonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens progesterone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0107 0.0154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0107 0.0107
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0012 0.0255 0.4907
Trypanosoma brucei SUMO1/Ulp2, putative 0.0012 0.0255 0.4907
Schistosoma mansoni hypothetical protein 0.0039 0.1451 0.2078
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0124 0.2383
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.072 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.052 0.052
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.072 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0422
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Echinococcus multilocularis protein dispatched 1 0.0047 0.1773 0.1773
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0255 0.1683
Brugia malayi nuclear hormone receptor 0.0009 0.0107 0.0107
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.2814 0.2814
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.052 0.7228
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.072 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0009 0.0107 0.0595
Schistosoma mansoni hypothetical protein 0.0164 0.6981 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0124 0.0817
Loa Loa (eye worm) hypothetical protein 0.0023 0.072 0.072
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0039 0.1451 0.2078
Schistosoma mansoni survival motor neuron protein 0.0047 0.1802 0.2581
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.052 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Brugia malayi hypothetical protein 0.007 0.2814 0.2814
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.042 0.5844
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1693 0.1693
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0124 0.0817
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1693 0.1693
Schistosoma mansoni DNA ligase IV 0.001 0.0124 0.0177
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1693 0.1693
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0107 0.0107
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0012 0.0255 0.4907
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0095 0.3931 0.3931
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0124 0.0817
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.1516 1
Echinococcus multilocularis muscleblind protein 0.0147 0.6207 0.6207
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.072 0.119
Schistosoma mansoni topbp1 0.001 0.0124 0.0177
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0107 0.0107
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.072 1
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0012 0.0255 0.4907
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0124 0.0817
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0012 0.0255 0.0366
Loa Loa (eye worm) hypothetical protein 0.0012 0.0255 0.0255
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1693 0.2425
Schistosoma mansoni patched 1 0.0041 0.1516 0.2172
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0107 0.0107
Echinococcus multilocularis geminin 0.0164 0.6981 0.6981
Echinococcus granulosus expressed conserved protein 0.013 0.5493 0.5493
Echinococcus granulosus sentrin specific protease 8 0.0012 0.0255 0.0255
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0124 0.0817
Brugia malayi steroid hormone receptor 0.0009 0.0107 0.0107
Mycobacterium ulcerans hypothetical protein 0.0023 0.072 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0107 0.0107
Giardia lamblia Sentrin specific protease, putative 0.0012 0.0255 0.3314
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Brugia malayi hypothetical protein 0.001 0.0124 0.0124
Echinococcus multilocularis sentrin specific protease 7 0.0143 0.6047 0.6047
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.052 0.7228
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0124 0.0817
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0107 0.0107
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0107 0.0154
Entamoeba histolytica hypothetical protein 0.007 0.2814 0.4653
Echinococcus multilocularis sentrin specific protease 1 0.0012 0.0255 0.0255
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.052 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Echinococcus multilocularis nibrin 0.001 0.0124 0.0124
Echinococcus multilocularis expressed conserved protein 0.013 0.5493 0.5493
Echinococcus multilocularis survival motor neuron protein 1 0.0232 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0124 0.2383
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0107 0.0107
Echinococcus multilocularis Niemann Pick C1 protein 0.0136 0.5746 0.5746
Echinococcus multilocularis sentrin specific protease 8 0.0012 0.0255 0.0255
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0107 0.0154
Brugia malayi DKFZp564C0469 protein 0.001 0.0124 0.0124
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.052 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0107 0.0107
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Schistosoma mansoni transcription factor LCR-F1 0.007 0.2814 0.403
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0107 0.0107
Brugia malayi nuclear receptor NHR-88 0.0009 0.0107 0.0107
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0107 0.0154
Echinococcus granulosus Niemann Pick C1 protein 0.0095 0.3931 0.3931
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0124 0.2383
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.072 0.119
Schistosoma mansoni hypothetical protein 0.0039 0.1451 0.2078
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0107 0.0154
Schistosoma mansoni ap endonuclease 0.0018 0.052 0.0745
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0422
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.072 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.072 0.072
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.1516 0.1516
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0107 0.0154
Loa Loa (eye worm) hypothetical protein 0.0012 0.0255 0.0255
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0017 0.0462 0.0462
Loa Loa (eye worm) hypothetical protein 0.0012 0.0255 0.0255
Echinococcus multilocularis expressed conserved protein 0.009 0.3674 0.3674
Onchocerca volvulus 0.0009 0.0107 0.0595
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0107 0.0107
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.052 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.2814 0.2814
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.042 0.5844
Entamoeba histolytica hypothetical protein 0.007 0.2814 0.4653
Schistosoma mansoni coup transcription factor 0.0009 0.0107 0.0154
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.072 1
Schistosoma mansoni ap endonuclease 0.0018 0.052 0.0745
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0012 0.0255 0.4907
Onchocerca volvulus 0.0012 0.0255 0.1416
Loa Loa (eye worm) hypothetical protein 0.0232 1 1
Trypanosoma cruzi hypothetical protein 0.0012 0.0255 0.4907
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0124 0.2383
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.072 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0124 0.2383
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0107 0.0154
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0124 0.1722
Plasmodium vivax sentrin-specific protease 1, putative 0.0012 0.0255 0.4907
Brugia malayi topoisomerase 0.001 0.0124 0.0124
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0143 0.6047 1
Brugia malayi hypothetical protein 0.001 0.0124 0.0124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1693 0.1693
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0124 0.2383
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.072 1
Schistosoma mansoni hypothetical protein 0.0164 0.6981 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0107 0.0107
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0255
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0107 0.0107
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0095 0.3931 0.65
Loa Loa (eye worm) hypothetical protein 0.0147 0.6207 0.6207
Echinococcus granulosus expressed conserved protein 0.009 0.3674 0.3674
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.072 1
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0124 0.0124
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0255
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0107 0.0107
Loa Loa (eye worm) Ulp1 protease 0.0012 0.0255 0.0255
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0012 0.0255 0.0366
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.052 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.052 0.343
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.052 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0107 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0107 0.0107
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0462 0.8884
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.072 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0107 0.0107
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.052 0.052
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0124 0.0205
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0462 0.8884
Entamoeba histolytica hypothetical protein 0.001 0.0124 0.0205
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.052 0.086
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Plasmodium falciparum sentrin-specific protease 1 0.0012 0.0255 0.4907
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.1516 0.1516
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1693 0.1693
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.072 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0107 0.0107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.042 0.5844
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0107 0.0154
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0107 0.0154
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1693 0.1693
Brugia malayi Muscleblind-like protein 0.0147 0.6207 0.6207
Onchocerca volvulus 0.0047 0.1802 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.072 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0107 0.0107
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.072 1
Toxoplasma gondii exonuclease III APE 0.0018 0.052 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0107 0.0107
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0124 0.0124
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0124 0.2383
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0012 0.0255 0.3883
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0422
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0147 0.6207 0.6207
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.052 0.343
Echinococcus granulosus nibrin 0.001 0.0124 0.0124
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0107 0.0107
Plasmodium vivax sentrin-specific protease 2, putative 0.0012 0.0255 0.4907
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0009 0.0107 0.0107
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0124 0.0817
Brugia malayi Niemann-Pick C1 protein precursor 0.0095 0.3931 0.3931
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0107 0.0107
Onchocerca volvulus 0.0023 0.072 0.3994
Entamoeba histolytica hypothetical protein 0.007 0.2814 0.4653
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.052 0.052
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0462 0.6421
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0097 0.3996 0.5724
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Onchocerca volvulus 0.001 0.0124 0.0688
Echinococcus granulosus muscleblind protein 0.0147 0.6207 0.6207
Brugia malayi CHE-14 protein 0.0041 0.1516 0.1516
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0107 0.0107
Echinococcus granulosus survival motor neuron protein 1 0.0232 1 1
Schistosoma mansoni topbp1 0.001 0.0124 0.0177
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.072 1
Echinococcus granulosus sentrin specific protease 7 0.0143 0.6047 0.6047
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0107 0.0107
Brugia malayi AMP-binding enzyme family protein 0.0023 0.072 0.072
Trichomonas vaginalis Sentrin-specific protease, putative 0.0012 0.0255 0.1683
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0124 0.0177
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0124 0.0124
Schistosoma mansoni hypothetical protein 0.0039 0.1451 0.2078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1693 0.2425
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0107 0.0154
Loa Loa (eye worm) hypothetical protein 0.005 0.1924 0.1924
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0012 0.0255 0.4907
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0107 0.0107
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.042 0.5844
Schistosoma mansoni hypothetical protein 0.007 0.2814 0.403
Brugia malayi ecdysteroid receptor 0.0009 0.0107 0.0107
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0462 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0107 0.0107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1693 0.2425
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.052 0.052
Loa Loa (eye worm) hypothetical protein 0.0023 0.072 0.072
Brugia malayi AMP-binding enzyme family protein 0.0023 0.072 0.072
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0107 0.0107
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0107 0.0107
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.052 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0107 0.0107
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0422
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0012 0.0255 0.1683
Loa Loa (eye worm) hypothetical protein 0.0041 0.1516 0.1516
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0124 0.0817
Onchocerca volvulus Protein ultraspiracle homolog 0.0009 0.0107 0.0595
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0012 0.0255 0.3883
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0462 0.6421
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0124 0.1722
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0107 0.0154
Echinococcus granulosus Protein patched homolog 1 0.0041 0.1516 0.1516
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0422
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0012 0.0255 0.1683
Echinococcus granulosus replication factor c subunit 1 0.001 0.0124 0.0124
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1802 0.1802
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Echinococcus multilocularis muscleblind protein 1 0.0147 0.6207 0.6207
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0012 0.0255 0.0366
Echinococcus granulosus Niemann Pick C1 protein 0.0136 0.5746 0.5746
Echinococcus granulosus geminin 0.0164 0.6981 0.6981
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0124 0.0817
Echinococcus multilocularis protein patched 0.0041 0.1516 0.1516
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.052 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.072 0.119
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0107 0.0107
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0012 0.0255 0.0255
Schistosoma mansoni hypothetical protein 0.0047 0.1802 0.2581
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0012 0.0255 0.3547
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0107 0.0107
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0143 0.6047 0.8662
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0107 0.0107
Loa Loa (eye worm) Ulp1 protease 0.0012 0.0255 0.0255
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.1516 0.1516
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0124 0.0817
Onchocerca volvulus Bile acid receptor homolog 0.0009 0.0107 0.0595
Loa Loa (eye worm) hypothetical protein 0.0023 0.072 0.072
Echinococcus multilocularis Niemann Pick C1 protein 0.0095 0.3931 0.3931
Loa Loa (eye worm) hypothetical protein 0.001 0.0124 0.0124
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0107 0.0107
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.052 0.7228
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0124 0.2383
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0124 0.2383
Entamoeba histolytica hypothetical protein 0.007 0.2814 0.4653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0107 0.0107
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0107 0.0107
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0107 0.0154
Echinococcus granulosus sentrin specific protease 1 0.0012 0.0255 0.0255

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 20.6 nM Progesterone receptor antagonist activity based on its ability to block progesterone induced alkaline phosphatase in the human breast cancer cell line T47D ChEMBL. 12419390
IC50 (functional) = 20.6 nM Progesterone receptor antagonist activity based on its ability to block progesterone induced alkaline phosphatase in the human breast cancer cell line T47D ChEMBL. 12419390
Inhibition (functional) = 60 % Ability to block progesterone induced stimulation of rat uterine luminal cells at 3 mg/kg peroral dose in rat decidualisation assay ChEMBL. 12419390

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.

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