Detailed information for compound 60015

Basic information

Technical information
  • TDR Targets ID: 60015
  • Name: N-butyl-11-[(7R,13S,16R,17S)-16-chloro-3,17-d ihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17- decahydrocyclopenta[a]phenanthren-7-yl]-N-met hylundecanamide
  • MW: 560.25 | Formula: C34H54ClNO3
  • H donors: 2 H acceptors: 3 LogP: 9.29 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCCN(C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2C2C1C1C[C@H]([C@@H]([C@]1(CC2)C)O)Cl)C
  • InChi: 1S/C34H54ClNO3/c1-4-5-20-36(3)31(38)15-13-11-9-7-6-8-10-12-14-24-21-25-22-26(37)16-17-27(25)28-18-19-34(2)29(32(24)28)23-30(35)33(34)39/h16-17,22,24,28-30,32-33,37,39H,4-15,18-21,23H2,1-3H3/t24-,28?,29?,30-,32?,33-,34+/m1/s1
  • InChiKey: FQJIZXBCOKNLMR-RZXDBSGKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-11-[(7R,13S,16R,17S)-16-chloro-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]-N-methyl-undecanamide
  • EM 139

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
Leishmania major metacaspase, putative 0.0048 0.0421 0.1325
Trypanosoma brucei metacaspase 5, putative 0.0048 0.0421 0.1325
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0029 0.0142 0.0811
Echinococcus multilocularis uridine phosphorylase 1 0.0029 0.0142 0.0142
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Loa Loa (eye worm) hypothetical protein 0.0093 0.1072 0.1072
Loa Loa (eye worm) hypothetical protein 0.004 0.0306 0.0306
Trypanosoma cruzi metacaspase 5, putative 0.0048 0.0421 0.1325
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0048 0.0421 0.0421
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0056 0.0536 0.0536
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Giardia lamblia UPL-1 0.0029 0.0142 0.0811
Trypanosoma cruzi oligopeptidase b 0.0056 0.0536 0.1688
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0029 0.0142 0.0142
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.014 0.1752 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0238 0.3177 1
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0056 0.0536 0.1688
Echinococcus multilocularis purine nucleoside phosphorylase 0.0111 0.1331 0.1331
Trypanosoma brucei trypanothione reductase 0.0047 0.0404 0.127
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1451 0.8133
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1403 0.1403
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0306 0.1749
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0029 0.0142 0.0307
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Schistosoma mansoni hypothetical protein 0.0045 0.0373 0.0373
Trypanosoma cruzi metacaspase 5, putative 0.0048 0.0421 0.1325
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus multilocularis caspase 8 0.0048 0.0421 0.0421
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0019 0.0019
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Schistosoma mansoni caspase-7 (C14 family) 0.0093 0.1072 0.1072
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0306 0.0306
Toxoplasma gondii Purine nucleoside phosphorylase 0.0029 0.0142 0.0389
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0238 0.3177 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.014 0.1752 0.1752
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Brugia malayi MTAP 0.0029 0.0142 0.0142
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Echinococcus multilocularis prolyl endopeptidase 0.0056 0.0536 0.0536
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0142 0.0811
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0127 0.1571 0.1571
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0019 0.006
Schistosoma mansoni caspase-7 (C14 family) 0.0127 0.1571 0.1571
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0682 0.0682
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0536 0.1688
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0629 0.0629
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0629 0.0629
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0682 0.1472
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Trypanosoma brucei metacaspase MCA2 0.0048 0.0421 0.1325
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0019 0.0108
Echinococcus granulosus methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Plasmodium falciparum purine nucleoside phosphorylase 0.0029 0.0142 0.0267
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0629 0.1358
Brugia malayi uridine phosphorylase family protein 0.0029 0.0142 0.0142
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0019 0.006
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0029 0.0142 0.0307
Trypanosoma cruzi oligopeptidase b 0.0056 0.0536 0.1688
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0056 0.0536 0.1159
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0682 0.2098
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0019 0.0019
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0306 0.0306
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1451 0.3135
Echinococcus granulosus caspase 0.0127 0.1571 0.1571
Plasmodium falciparum thioredoxin reductase 0.0047 0.0404 0.0834
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0056 0.0536 0.1638
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
Plasmodium vivax hypothetical protein, conserved 0.0048 0.0421 0.0872
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
Trypanosoma cruzi prolyl endopeptidase 0.0056 0.0536 0.1688
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0048 0.0421 0.1273
Toxoplasma gondii thioredoxin reductase 0.0047 0.0404 0.1218
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0048 0.0421 0.0421
Brugia malayi Thioredoxin reductase 0.0047 0.0404 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0019 0.0108
Echinococcus granulosus acylamino acid releasing enzyme 0.0056 0.0536 0.0536
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0306 0.1749
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.1277 0.276
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0048 0.0421 0.1273
Plasmodium vivax hypothetical protein, conserved 0.0056 0.0536 0.1122
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.014 0.1752 1
Mycobacterium ulcerans purine nucleoside phosphorylase 0.014 0.1752 0.3784
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0708 1 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0306 0.0306
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0127 0.1571 0.1571
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.0536 0.3062
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0708 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0056 0.0536 0.0536
Mycobacterium tuberculosis Probable reductase 0.0107 0.1277 0.276
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.014 0.1752 0.1432
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0142 0.0811
Plasmodium falciparum metacaspase-like protein 0.0048 0.0421 0.0872
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0568 0.0568
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0708 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1277 0.276
Treponema pallidum uridine phosphorylase (udp) 0.0029 0.0142 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Trypanosoma brucei metacaspase 0.0048 0.0421 0.1325
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0019 0.0041
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0019 0.0108
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0029 0.0142 0.0811
Echinococcus granulosus caspase 3 0.0079 0.0871 0.0871
Echinococcus granulosus caspase 8 0.0048 0.0421 0.0421
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0056 0.0536 0.1688
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Trypanosoma brucei prolyl endopeptidase 0.0056 0.0536 0.1688
Plasmodium vivax metacaspase 1, putative 0.0048 0.0421 0.0872
Onchocerca volvulus Prolyl endopeptidase homolog 0.0056 0.0536 0.017
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0338 0.4629 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Loa Loa (eye worm) uridine phosphorylase 0.0029 0.0142 0.0142
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0306 0.0306
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0019 0.0354
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0029 0.0142 0.0307
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0056 0.0536 0.1688
Trypanosoma brucei prolyl oligopeptidase, putative 0.0056 0.0536 0.1688
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0056 0.0536 0.3062
Trypanosoma brucei metacaspase MCA3 0.0048 0.0421 0.1325
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1277 0.276
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Onchocerca volvulus Cell death protein 3 homolog 0.0093 0.1072 0.0726
Echinococcus multilocularis acylamino acid releasing enzyme 0.0056 0.0536 0.0536
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0682 0.0682
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Schistosoma mansoni uridine phosphorylase 0.0029 0.0142 0.0142
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0306 0.0964
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0338 0.4629 1
Brugia malayi prolyl oligopeptidase family protein 0.0238 0.3177 0.3177
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1451 0.3135
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1403 0.1403
Leishmania major trypanothione reductase 0.0047 0.0404 0.127
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0306 0.1749
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.014 0.1752 0.3784
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0306 0.0306
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0048 0.0421 0.1273
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0306 0.0306
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1277 0.276
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0404 0.127
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Brugia malayi hypothetical protein 0.0182 0.2363 0.2363
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0306 0.5711
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Mycobacterium tuberculosis Conserved hypothetical protein 0.0029 0.0142 0.0307
Brugia malayi hypothetical protein 0.0045 0.0373 0.0373
Echinococcus multilocularis purine nucleoside phosphorylase 0.0111 0.1331 0.1331
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Toxoplasma gondii prolyl endopeptidase 0.0056 0.0536 0.1638
Leishmania major nucleoside phosphorylase-like protein 0.0029 0.0142 0.0447
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0056 0.0536 0.1688
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Echinococcus granulosus uridine phosphorylase 1 0.0029 0.0142 0.0142
Entamoeba histolytica hypothetical protein 0.0029 0.0142 0.2647
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0019 0.006
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0062 0.0629 0.1358
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.1277 0.7054
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0056 0.0536 0.1688
Loa Loa (eye worm) hypothetical protein 0.0045 0.0373 0.0373
Echinococcus granulosus Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0019 0.0019
Echinococcus multilocularis apoptotic protease activating factor 1 0.0045 0.0373 0.0373
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0019 0.006
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
Toxoplasma gondii hypothetical protein 0.0056 0.0536 0.1638
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0.0536 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0629 0.0629
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0338 0.4629 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0404 0.0834
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0048 0.0421 0.0421
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0629 0.1358
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0.0536 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0306 0.1749
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0019 0.0041
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0019 0.0019
Mycobacterium tuberculosis Hypothetical protein 0.0029 0.0142 0.0307
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Echinococcus multilocularis caspase 2 0.0093 0.1072 0.1072
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.1451 0.3135
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0338 0.4629 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0306 0.0306
Schistosoma mansoni uridine phosphorylase 0.0029 0.0142 0.0142
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.014 0.1752 1
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0056 0.0536 0.1688
Echinococcus granulosus apoptotic protease activating factor 1 0.0045 0.0373 0.0373
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0708 1 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0267
Plasmodium falciparum peptidase, putative 0.0056 0.0536 0.1122
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0536 0.3062
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0682 0.0682
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0629 0.1978
Loa Loa (eye worm) prolyl oligopeptidase 0.0708 1 1
Brugia malayi Cell death protein 3 precursor 0.0093 0.1072 0.1072
Echinococcus granulosus caspase 2 0.0093 0.1072 0.1072
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0111 0.1331 0.1331
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0338 0.4629 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0029 0.0142 0.2647
Mycobacterium tuberculosis Probable peptidase 0.0056 0.0536 0.1159
Trypanosoma brucei oligopeptidase b 0.0056 0.0536 0.1688
Plasmodium vivax glutathione reductase, putative 0.0047 0.0404 0.0834
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0056 0.0536 0.245
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0238 0.3177 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0682 0.0682
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.0536 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Leishmania major oligopeptidase b 0.0056 0.0536 0.1688
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0306 0.0306
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Plasmodium falciparum glutathione reductase 0.0047 0.0404 0.0834
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1277 0.276
Schistosoma mansoni caspase-3 (C14 family) 0.0127 0.1571 0.1571
Echinococcus granulosus prolyl endopeptidase 0.0056 0.0536 0.0536
Brugia malayi glutathione reductase 0.0047 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0111 0.1331 0.1331
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0404 0.0404
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Plasmodium falciparum metacaspase 1 0.0048 0.0421 0.0872
Schistosoma mansoni purine nucleoside phosphorylase 0.014 0.1752 0.1752
Treponema pallidum pfs protein (pfs) 0.0029 0.0142 1
Trypanosoma brucei uridine phosphorylase 0.0029 0.0142 0.0447
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0536 0.1688
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0404 0.0872
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0682 0.2145
Trypanosoma brucei Metacaspase-4 0.0048 0.0421 0.1325
Echinococcus multilocularis caspase 3 0.0079 0.0871 0.0871
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Leishmania major methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0029 0.0142 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0629 0.0629
Loa Loa (eye worm) hypothetical protein 0.0182 0.2363 0.2363
Echinococcus multilocularis caspase 0.0127 0.1571 0.1571
Brugia malayi MH2 domain containing protein 0.0116 0.1403 0.1403
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0238 0.3177 0.3177
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Loa Loa (eye worm) glutathione reductase 0.0047 0.0404 0.0404
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0056 0.0536 0.1159
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0306 0.0306

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 35 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 3 ug dose twice daily ChEMBL. 2033587
Inhibition (functional) = 82 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 20 ug dose twice daily ChEMBL. 2033587
RBA (binding) = 1.1 Relative binding affinity for estrogen receptor from immature rat uterus ChEMBL. 2033587

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

1 literature reference was collected for this gene.

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