Detailed information for compound 522723

Basic information

Technical information
  • TDR Targets ID: 522723
  • Name: N-butyl-11-[(7R,8R,9S,13S,14S,16R,17R)-16-chl oro-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14 ,15,16,17-decahydrocyclopenta[a]phenanthren-7 -yl]-N-methylundecanamide
  • 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)ccc2[C@@H]2[C@@H]1[C@@H]1C[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-FTAPQOLWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-11-[(7R,8R,9S,13S,14S,16R,17R)-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
  • 131811-54-6
  • N-n-Butyl-N-methyl-11-(16'alpha-chloro-3',17'beta-dihydroxyestra-1',3',5'(10')-trien-7'alpha-yl)undecanamide
  • EM 170
  • EM-139
  • Estra-1,3,5(10)-triene-7-undecanamide, N-butyl-16-chloro-3,17-dihydroxy-N-methyl-, (7alpha,16alpha,17beta)-

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

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Reversal of estrogen-induced proliferation in estrogen-sensitive human MCF7 cells at 0.5 uM after 8 days relative to control ChEMBL. 18035543
Inhibition (functional) = 74 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 3 ug dose twice daily ChEMBL. 2033587
Inhibition (functional) = 99 % Inhibition of estradiol-induced uterine weight gain in ovariectomized BALB/c mice at 20 ug dose twice daily 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

2 literature references were collected for this gene.

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