Detailed information for compound 1459998

Basic information

Technical information
  • TDR Targets ID: 1459998
  • Name: (8S,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8 ,9,11,12,14,15,16,17-decahydrocyclopenta[a]ph enanthrene-17-carbonitrile
  • MW: 281.392 | Formula: C19H23NO
  • H donors: 1 H acceptors: 2 LogP: 4.62 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O
  • InChi: 1S/C19H23NO/c1-19-9-8-16-15-6-4-14(21)10-12(15)2-5-17(16)18(19)7-3-13(19)11-20/h4,6,10,13,16-18,21H,2-3,5,7-9H2,1H3/t13-,16-,17-,18+,19-/m1/s1
  • InChiKey: PDSOIUHLYKBZLZ-QSGLGXSPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0038
Schistosoma mansoni acetylcholinesterase 0.0124 0.0874 0.086
Echinococcus granulosus nuclear factor of activated T cells 5 0.0216 0.1594 0.1582
Brugia malayi Carboxylesterase family protein 0.0124 0.0874 0.0874
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0123 0.0868 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0123 0.0868 0.1727
Giardia lamblia Alanyl dipeptidyl peptidase 0.0123 0.0868 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0648 0.4955 0.4948
Onchocerca volvulus 0.0124 0.0874 0.086
Echinococcus granulosus pyruvate kinase 0.0017 0.0039 0.0024
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0136 0.0307
Brugia malayi Protein kinase domain containing protein 0.0014 0.0018 0.0018
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0034 0.011
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0046 0.027 0.3094
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.0823 0.9475
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0163 0.0374
Schistosoma mansoni ankyrin 23/unc44 0.0014 0.0018 0.0003
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0163 0.0149
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0179 0.2047
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0163 0.1738
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0034 0.0038
Brugia malayi Carboxylesterase family protein 0.0124 0.0874 0.0874
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0346 0.0346
Echinococcus granulosus netrin receptor unc 5 0.0014 0.0018 0.0003
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1295 1 1
Echinococcus granulosus expressed conserved protein 0.0091 0.0614 0.06
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0231 0.0216
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.027 0.2995
Loa Loa (eye worm) hypothetical protein 0.0046 0.027 0.0256
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0019 0.0004
Loa Loa (eye worm) hypothetical protein 0.0023 0.0086 0.0071
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.1713 0.1701
Plasmodium vivax SET domain protein, putative 0.0029 0.0136 0.1424
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0868 0.1727
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.1713 0.1701
Loa Loa (eye worm) hypothetical protein 0.0096 0.066 0.0646
Echinococcus multilocularis acetylcholinesterase 0.0733 0.5622 0.5616
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.027 0.0517
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0123 0.0868 0.1727
Echinococcus multilocularis pyruvate kinase 0.0017 0.0039 0.0024
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0034 0.0047
Onchocerca volvulus 0.0124 0.0874 0.086
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.0732 0.8399
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0014 0.0018 0.0003
Onchocerca volvulus 0.0124 0.0874 0.086
Trypanosoma brucei trypanothione reductase 0.0046 0.0269 0.0515
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0346 0.0671
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0123 0.0868 0.1727
Brugia malayi Carboxylesterase family protein 0.0733 0.5622 0.5622
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0124 0.0874 0.086
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.0823 0.9422
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0269 0.0255
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0317 0.0302
Echinococcus multilocularis pyruvate kinase 0.0033 0.0163 0.0149
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0015 0.0169
Mycobacterium tuberculosis Probable reductase 0.0106 0.0732 0.8371
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0123 0.0868 0.5016
Loa Loa (eye worm) hypothetical protein 0.0048 0.0286 0.0272
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0123 0.0868 0.1727
Echinococcus granulosus neuroligin 0.0124 0.0874 0.086
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0648 0.4955 1
Echinococcus multilocularis neuroligin 0.0124 0.0874 0.086
Loa Loa (eye worm) hypothetical protein 0.0232 0.1713 0.1701
Brugia malayi prolyl oligopeptidase family protein 0.0123 0.0868 0.0868
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0164
Brugia malayi prolyl oligopeptidase family protein 0.0648 0.4955 0.4955
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.1972
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0015 0.0014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0258 0.0243
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0034 0.011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0258 0.0243
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0123 0.0868 0.0855
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0123 0.0868 0.5016
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.0868 0.0855
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0014 0.0018 0.0003
Echinococcus multilocularis prolyl endopeptidase 0.0123 0.0868 0.0855
Onchocerca volvulus 0.0048 0.0286 0.0272
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0179 0.1923
Brugia malayi Pre-SET motif family protein 0.0204 0.1497 0.1496
Brugia malayi AMP-binding enzyme family protein 0.0046 0.027 0.027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0243
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0258 0.0257
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0123 0.0868 0.9933
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1295 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0046 0.027 0.2995
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0046 0.027 0.2975
Mycobacterium tuberculosis Probable peptidase 0.0123 0.0868 0.9935
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0277 0.0276
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0231 0.0216
Echinococcus multilocularis pyruvate kinase 0.0026 0.0109 0.0095
Echinococcus multilocularis para nitrobenzyl esterase 0.0124 0.0874 0.086
Treponema pallidum NADH oxidase 0.0016 0.0034 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0038
Echinococcus multilocularis protein patched 0.0041 0.0231 0.0216
Schistosoma mansoni pyruvate kinase 0.0033 0.0163 0.0149
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0982 0.0969
Toxoplasma gondii thioredoxin reductase 0.0046 0.0269 0.0642
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0164 0.1878
Echinococcus multilocularis expressed conserved protein 0.0091 0.0614 0.06
Toxoplasma gondii pyruvate kinase PyKII 0.0017 0.0039 0.0062
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0183 0.0169
Echinococcus granulosus Ankyrin 0.0014 0.0019 0.0004
Echinococcus multilocularis acylamino acid releasing enzyme 0.0123 0.0868 0.0855
Brugia malayi hypothetical protein 0.0399 0.302 0.3019
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0346 0.0332
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.1972
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.027 0.2975
Echinococcus multilocularis netrin receptor unc 5 0.0014 0.0018 0.0003
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0163 0.0872
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.066 0.0646
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0163 0.03
Plasmodium vivax pyruvate kinase 2, putative 0.0017 0.0039 0.0286
Echinococcus multilocularis BC026374 protein (S09 family) 0.0124 0.0874 0.086
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0346 0.0332
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0179 0.1923
Brugia malayi Uncoordinated protein 44 0.0014 0.0018 0.0018
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0014 0.0018 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Echinococcus multilocularis Ankyrin 0.0014 0.0019 0.0004
Leishmania major oligopeptidase b 0.0123 0.0868 0.1727
Plasmodium falciparum peptidase, putative 0.0123 0.0868 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0034 0.0047
Trypanosoma brucei oligopeptidase b 0.0123 0.0868 0.1727
Entamoeba histolytica hypothetical protein, conserved 0.0123 0.0868 1
Brugia malayi AMP-binding enzyme family protein 0.0046 0.027 0.027
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0346 0.3962
Brugia malayi hypothetical protein 0.0035 0.0183 0.0183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0258 0.0243
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0258 0.0243
Echinococcus granulosus carboxylesterase 5A 0.0733 0.5622 0.5616
Plasmodium falciparum pyruvate kinase 2 0.0017 0.0039 0.0286
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0015 0.0169
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0034 0.0038
Brugia malayi Carboxylesterase family protein 0.0733 0.5622 0.5622
Brugia malayi Carboxylesterase family protein 0.0124 0.0874 0.0874
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0269 0.0255
Plasmodium falciparum thioredoxin reductase 0.0046 0.0269 0.2983
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0015 0.0014
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0671 0.0658
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0015 0.0169
Plasmodium vivax glutathione reductase, putative 0.0046 0.0269 0.2983
Leishmania major trypanothione reductase 0.0046 0.0269 0.0515
Entamoeba histolytica acyl-coA synthetase, putative 0.0046 0.027 0.2995
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0015 0.0169
Echinococcus granulosus acetylcholinesterase 0.0733 0.5622 0.5616
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0269 0.3082
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0648 0.4955 0.4948
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1295 1 1
Toxoplasma gondii prolyl endopeptidase 0.0123 0.0868 0.2153
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0123 0.0868 0.1727
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0034 0.0219
Loa Loa (eye worm) hypothetical protein 0.0033 0.0163 0.0149
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0648 0.4955 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0269 0.0255
Entamoeba histolytica prolyl oligopeptidase family protein 0.0123 0.0868 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.0269 0.0255
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0269 0.2983
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.0732 0.8371
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0231 0.0216
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0123 0.0868 0.0855
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0123 0.0868 0.0855
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0015 0.0014
Echinococcus multilocularis protein dispatched 1 0.0047 0.0276 0.0262
Echinococcus granulosus prolyl endopeptidase 0.0123 0.0868 0.0855
Schistosoma mansoni hypothetical protein 0.0014 0.0018 0.0003
Trypanosoma brucei prolyl oligopeptidase, putative 0.0123 0.0868 0.1727
Loa Loa (eye worm) prolyl oligopeptidase 0.1295 1 1
Mycobacterium ulcerans hypothetical protein 0.0046 0.027 0.2975
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0123 0.0868 1
Plasmodium vivax hypothetical protein, conserved 0.0123 0.0868 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0733 0.5622 0.5616
Echinococcus multilocularis carboxylesterase 5A 0.0733 0.5622 0.5616
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0163 0.0149
Brugia malayi prolyl oligopeptidase family protein 0.0123 0.0868 0.0868
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Echinococcus granulosus BC026374 protein S09 family 0.0124 0.0874 0.086
Mycobacterium ulcerans carboxylesterase, LipT 0.0124 0.0874 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0136 0.0122
Entamoeba histolytica prolyl oligopeptidase family protein 0.0123 0.0868 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Trypanosoma cruzi oligopeptidase b 0.0123 0.0868 0.1727
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0258 0.0243
Onchocerca volvulus Netrin receptor homolog 0.0014 0.0018 0.0003
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0015 0.0169
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0648 0.4955 0.4948
Brugia malayi Carboxylesterase family protein 0.0124 0.0874 0.0874
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.066 0.7558
Schistosoma mansoni neuroligin 3 (S09 family) 0.0124 0.0874 0.086
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0163 0.1866
Toxoplasma gondii hypothetical protein 0.0123 0.0868 0.2153
Plasmodium falciparum pyruvate kinase 0.0033 0.0163 0.1738
Brugia malayi glutathione reductase 0.0046 0.0269 0.0269
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0163 0.03
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0163 0.1738
Loa Loa (eye worm) hypothetical protein 0.0123 0.0868 0.0855
Brugia malayi hypothetical protein 0.0124 0.0874 0.0874
Plasmodium falciparum glutathione reductase 0.0046 0.0269 0.2983
Echinococcus granulosus acylamino acid releasing enzyme 0.0123 0.0868 0.0855
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.0732 0.8371
Onchocerca volvulus Prolyl endopeptidase homolog 0.0123 0.0868 0.0855
Echinococcus multilocularis pyruvate kinase 0.0033 0.0163 0.0149
Brugia malayi Death domain containing protein 0.0014 0.0018 0.0018
Loa Loa (eye worm) carboxylesterase 0.0124 0.0874 0.086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0243
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0163 0.0149
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0086 0.0071
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0015 0.0169
Echinococcus granulosus acetylcholinesterase 0.0733 0.5622 0.5616
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0124 0.0874 0.086
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.066 0.0659
Brugia malayi Thioredoxin reductase 0.0046 0.0269 0.0269
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0015 0.0169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0733 0.5622 0.5616
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0034 0.0219
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0124 0.0874 0.086
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0046 0.027 0.2975
Schistosoma mansoni pyruvate kinase 0.0017 0.0039 0.0024
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0648 0.4955 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0034 0.022
Mycobacterium tuberculosis Carboxylesterase LipT 0.0124 0.0874 1
Schistosoma mansoni hypothetical protein 0.0047 0.0277 0.0262
Echinococcus multilocularis tumor protein p63 0.0331 0.2487 0.2476
Echinococcus granulosus pyruvate kinase 0.0033 0.0163 0.0149
Brugia malayi prolyl oligopeptidase family protein 0.0123 0.0868 0.0868
Loa Loa (eye worm) hypothetical protein 0.0051 0.0303 0.0289
Schistosoma mansoni BC026374 protein (S09 family) 0.0124 0.0874 0.086
Schistosoma mansoni patched 1 0.0041 0.0231 0.0216
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0163 0.0163
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0982 0.0969
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0035 0.0179 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0136 0.0122
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0015 0.0169
Schistosoma mansoni hypothetical protein 0.004 0.0219 0.0205
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0269 0.0515
Schistosoma mansoni pyruvate kinase 0.0033 0.0163 0.0149
Onchocerca volvulus 0.0124 0.0874 0.086
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0034 0.022
Brugia malayi Pre-SET motif family protein 0.0029 0.0136 0.0136
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.1972
Echinococcus granulosus pyruvate kinase 0.0033 0.0163 0.0149
Loa Loa (eye worm) carboxylesterase 0.0124 0.0874 0.086
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0034 0.0038
Onchocerca volvulus 0.0047 0.0277 0.0262
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0015 0.0014
Loa Loa (eye worm) hypothetical protein 0.0248 0.1844 0.1832
Loa Loa (eye worm) acetylcholinesterase 1 0.0733 0.5622 0.5616
Onchocerca volvulus 0.0046 0.027 0.0256
Brugia malayi Immunoglobulin I-set domain containing protein 0.0014 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0399 0.302 0.3009
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0164
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0123 0.0868 0.2153
Loa Loa (eye worm) carboxylesterase 0.0733 0.5622 0.5616
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0123 0.0868 0.9935
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0794 0.6096 0.6091
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0034 0.0033
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0046 0.027 0.3094
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.0732 0.8371
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0183 0.0169
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0163 0.0149
Schistosoma mansoni hypothetical protein 0.0035 0.0183 0.0169
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0035 0.0179 0.191
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0163 0.1726
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0163 0.0872
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0346 0.0332
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0019
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.1497 0.1484
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0163 0.0149
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0123 0.0868 0.0855
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.0823 0.9422
Trichomonas vaginalis set domain proteins, putative 0.0232 0.1716 1
Onchocerca volvulus 0.0017 0.0044 0.003
Entamoeba histolytica prolyl oligopeptidase family protein 0.0123 0.0868 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.027 0.2975
Onchocerca volvulus 0.0029 0.0136 0.0122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0164
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0015 0.0014
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0164 0.1878
Schistosoma mansoni hypothetical protein 0.004 0.0219 0.0205
Echinococcus multilocularis acetylcholinesterase 0.0733 0.5622 0.5616
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0019
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0034 0.022
Trypanosoma brucei prolyl endopeptidase 0.0123 0.0868 0.1727
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0231 0.0216
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0868 0.5016
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0015 0.0169
Loa Loa (eye worm) hypothetical protein 0.0029 0.0136 0.0122
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0015 0.0169
Trypanosoma cruzi oligopeptidase b 0.0123 0.0868 0.1727
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0286 0.0272
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0136 0.0122
Brugia malayi hypothetical protein 0.0232 0.1713 0.1713
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.027 0.2995
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0136 0.0122
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0015 0.0169
Schistosoma mansoni hypothetical protein 0.004 0.0219 0.0205
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0015 0.0014
Giardia lamblia Pyruvate kinase 0.0017 0.0039 0.0067
Schistosoma mansoni netrin receptor unc5 0.0014 0.0018 0.0003
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0034 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0868 0.1727
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0124 0.0874 0.505
Loa Loa (eye worm) hypothetical protein 0.0733 0.5622 0.5616
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0046 0.027 0.2995
Loa Loa (eye worm) hypothetical protein 0.0046 0.027 0.0256
Leishmania major pyruvate kinase 0.0033 0.0163 0.03
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0019
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0124 0.0874 0.086
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0164 0.1878
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0034 0.0219
Loa Loa (eye worm) prolyl oligopeptidase 0.0123 0.0868 0.0855
Onchocerca volvulus 0.0124 0.0874 0.086
Echinococcus granulosus tumor protein p63 0.0331 0.2487 0.2476
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0014 0.0018 0.0003
Loa Loa (eye worm) hypothetical protein 0.0124 0.0874 0.086
Trichomonas vaginalis spcc417.12 protein, putative 0.0124 0.0874 0.505
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0183 0.0169
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0034 0.0038
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0163 0.0149
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0136 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0231 0.1271
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0034 0.022
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0258 0.0243
Schistosoma mansoni gliotactin 0.0124 0.0874 0.086
Schistosoma mansoni survival motor neuron protein 0.0047 0.0277 0.0262
Echinococcus granulosus pyruvate kinase 0.0017 0.0039 0.0024
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.066 0.0646
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0216 0.1594 0.1582
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0046 0.027 0.2975
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0046 0.027 0.2975
Echinococcus multilocularis pyruvate kinase 0.0017 0.0039 0.0024
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0123 0.0868 1
Plasmodium falciparum thioredoxin reductase 0.0016 0.0034 0.022
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0522 0.3979 1
Echinococcus granulosus death domain containing protein 0.0014 0.0018 0.0003
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0163 0.03
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0124 0.0874 0.086
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.027 0.0517
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.1972
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.0732 0.8371
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0124 0.0874 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0163 0.03
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0648 0.4955 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0039 0.0024
Giardia lamblia Alanyl dipeptidyl peptidase 0.0123 0.0868 1
Brugia malayi AMP-binding enzyme family protein 0.0046 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0164
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0346 0.3859
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0128 0.0113
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0033 0.0164 0.1878
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0123 0.0868 0.1727
Schistosoma mansoni hypothetical protein 0.004 0.0219 0.0205
Leishmania major pyruvate kinase 0.0033 0.0163 0.03
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1295 1 1
Brugia malayi CHE-14 protein 0.0041 0.0231 0.0231
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0034 0.0038
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.0823 0.9422
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0136 0.0122
Plasmodium falciparum glutathione reductase 0.0016 0.0034 0.022
Echinococcus granulosus para nitrobenzyl esterase 0.0124 0.0874 0.086
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0086 0.0835
Onchocerca volvulus 0.0232 0.1717 0.1705
Giardia lamblia Pyruvate kinase 0.0033 0.0163 0.1552
Chlamydia trachomatis pyruvate kinase 0.0033 0.0163 0.8912
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0004
Loa Loa (eye worm) hypothetical protein 0.0046 0.027 0.0256
Loa Loa (eye worm) hypothetical protein 0.0041 0.0231 0.0216
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0346 0.3859
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0124 0.0874 1
Trypanosoma cruzi prolyl endopeptidase 0.0123 0.0868 0.1727
Echinococcus multilocularis pyruvate kinase 0.0017 0.0039 0.0024
Leishmania major 4-coumarate:coa ligase-like protein 0.0046 0.027 0.0517
Mycobacterium ulcerans acyl-CoA synthetase 0.0046 0.027 0.2975
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0136 0.0122
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.0732 0.8371
Loa Loa (eye worm) hypothetical protein 0.0035 0.0179 0.0164
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0034 0.0038
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0648 0.4955 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0034 0.0384

Activities

Activity type Activity value Assay description Source Reference
Estrogenic potency (functional) = 0.05 Compound was evaluated in vivo for estrogenic receptor potency relative to ethynylestradiol in rat . ChEMBL. 2738897

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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