Detailed information for compound 13285

Basic information

Technical information
  • Name: Unnamed compound
  • 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)CCCCCCCCCCC1Cc2cc(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-UNKQYACXSA-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
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1451 0.3135
Echinococcus granulosus ubiquitin specific protease 41 0.004 0.0306 0.0306
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0019 0.0019
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
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
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
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
Plasmodium falciparum thioredoxin reductase 0.0047 0.0404 0.0834
Echinococcus granulosus caspase 0.0127 0.1571 0.1571
Plasmodium falciparum purine nucleoside phosphorylase 0.0029 0.0142 0.0267
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0019 0.0108
Echinococcus granulosus methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0056 0.0536 0.1159
Trypanosoma cruzi oligopeptidase b 0.0056 0.0536 0.1688
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0029 0.0142 0.0307
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0019 0.006
Brugia malayi uridine phosphorylase family protein 0.0029 0.0142 0.0142
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0629 0.1358
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0629 0.0629
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0062 0.0629 0.0629
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0536 0.1688
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0682 0.0682
Trypanosoma brucei metacaspase MCA2 0.0048 0.0421 0.1325
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0682 0.1472
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
Brugia malayi MTAP 0.0029 0.0142 0.0142
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.014 0.1752 0.1752
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0238 0.3177 1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0029 0.0142 0.0389
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.004 0.0306 0.0306
Schistosoma mansoni caspase-7 (C14 family) 0.0093 0.1072 0.1072
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Schistosoma mansoni caspase-7 (C14 family) 0.0127 0.1571 0.1571
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0127 0.1571 0.1571
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0019 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0142 0.0811
Echinococcus multilocularis prolyl endopeptidase 0.0056 0.0536 0.0536
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Schistosoma mansoni hypothetical protein 0.0045 0.0373 0.0373
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0019 0.0019
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Echinococcus multilocularis caspase 8 0.0048 0.0421 0.0421
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
Trypanosoma cruzi metacaspase 5, putative 0.0048 0.0421 0.1325
Trypanosoma brucei trypanothione reductase 0.0047 0.0404 0.127
Echinococcus multilocularis purine nucleoside phosphorylase 0.0111 0.1331 0.1331
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
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.014 0.1752 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0029 0.0142 0.0142
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0029 0.0142 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0306 0.1749
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1403 0.1403
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.1451 0.8133
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0048 0.0421 0.0421
Loa Loa (eye worm) hypothetical protein 0.004 0.0306 0.0306
Trypanosoma cruzi metacaspase 5, putative 0.0048 0.0421 0.1325
Trypanosoma cruzi oligopeptidase b 0.0056 0.0536 0.1688
Giardia lamblia UPL-1 0.0029 0.0142 0.0811
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Loa Loa (eye worm) prolyl oligopeptidase 0.0056 0.0536 0.0536
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Trypanosoma brucei metacaspase 5, putative 0.0048 0.0421 0.1325
Leishmania major metacaspase, putative 0.0048 0.0421 0.1325
Loa Loa (eye worm) hypothetical protein 0.0093 0.1072 0.1072
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
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
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0029 0.0142 0.0307
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0019 0.0354
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.004 0.0306 0.0306
Trypanosoma brucei prolyl endopeptidase 0.0056 0.0536 0.1688
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0056 0.0536 0.1688
Echinococcus granulosus caspase 8 0.0048 0.0421 0.0421
Loa Loa (eye worm) uridine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0338 0.4629 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0056 0.0536 0.017
Plasmodium vivax metacaspase 1, putative 0.0048 0.0421 0.0872
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0029 0.0142 0.0811
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0019 0.0108
Echinococcus granulosus caspase 3 0.0079 0.0871 0.0871
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.0568 0.0568
Plasmodium falciparum metacaspase-like protein 0.0048 0.0421 0.0872
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0142 0.0811
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.014 0.1752 0.1432
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Trypanosoma brucei metacaspase 0.0048 0.0421 0.1325
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0019 0.0041
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Treponema pallidum uridine phosphorylase (udp) 0.0029 0.0142 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1277 0.276
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0708 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0708 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0056 0.0536 0.3062
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0127 0.1571 0.1571
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.004 0.0306 0.0306
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0708 1 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0056 0.0536 0.0536
Mycobacterium tuberculosis Probable reductase 0.0107 0.1277 0.276
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Echinococcus granulosus acylamino acid releasing enzyme 0.0056 0.0536 0.0536
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0019 0.0108
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Brugia malayi Thioredoxin reductase 0.0047 0.0404 0.0404
Mycobacterium ulcerans purine nucleoside phosphorylase 0.014 0.1752 0.3784
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.014 0.1752 1
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
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 thioredoxin reductase 0.0047 0.0404 0.1218
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
Loa Loa (eye worm) hypothetical protein 0.0048 0.0421 0.0421
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
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 purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Trypanosoma cruzi prolyl endopeptidase 0.0056 0.0536 0.1688
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0062 0.0629 0.1358
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.004 0.0306 0.1749
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0.0536 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0062 0.0629 0.0629
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0056 0.0536 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Toxoplasma gondii hypothetical protein 0.0056 0.0536 0.1638
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0019 0.006
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0048 0.0421 0.0421
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0404 0.0834
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0338 0.4629 1
Entamoeba histolytica prolyl oligopeptidase family protein 0.0056 0.0536 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.1277 0.7054
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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0019 0.006
Entamoeba histolytica hypothetical protein 0.0029 0.0142 0.2647
Echinococcus multilocularis apoptotic protease activating factor 1 0.0045 0.0373 0.0373
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0045 0.0373 0.0373
Echinococcus granulosus Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0056 0.0536 0.1688
Echinococcus multilocularis purine nucleoside phosphorylase 0.0111 0.1331 0.1331
Brugia malayi hypothetical protein 0.0045 0.0373 0.0373
Echinococcus granulosus uridine phosphorylase 1 0.0029 0.0142 0.0142
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0056 0.0536 0.1688
Leishmania major nucleoside phosphorylase-like protein 0.0029 0.0142 0.0447
Toxoplasma gondii prolyl endopeptidase 0.0056 0.0536 0.1638
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Brugia malayi hypothetical protein 0.0182 0.2363 0.2363
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0404 0.127
Mycobacterium tuberculosis Conserved hypothetical protein 0.0029 0.0142 0.0307
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.004 0.0306 0.5711
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.014 0.1752 0.3784
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.004 0.0306 0.1749
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Leishmania major trypanothione reductase 0.0047 0.0404 0.127
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1403 0.1403
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.004 0.0306 0.0306
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.1277 0.276
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0048 0.0421 0.1273
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.004 0.0306 0.0306
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0338 0.4629 1
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
Onchocerca volvulus Cell death protein 3 homolog 0.0093 0.1072 0.0726
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.1451 0.3135
Brugia malayi prolyl oligopeptidase family protein 0.0238 0.3177 0.3177
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0338 0.4629 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.004 0.0306 0.0964
Schistosoma mansoni uridine phosphorylase 0.0029 0.0142 0.0142
Trypanosoma brucei prolyl oligopeptidase, putative 0.0056 0.0536 0.1688
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0056 0.0536 0.1688
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.1277 0.276
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma brucei metacaspase MCA3 0.0048 0.0421 0.1325
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0056 0.0536 0.3062
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
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0056 0.0536 0.1159
Loa Loa (eye worm) glutathione reductase 0.0047 0.0404 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0238 0.3177 0.3177
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.004 0.0306 0.0306
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.2363 0.2363
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0629 0.0629
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0029 0.0142 1
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 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
Brugia malayi MH2 domain containing protein 0.0116 0.1403 0.1403
Echinococcus multilocularis caspase 0.0127 0.1571 0.1571
Trypanosoma cruzi hypothetical protein, conserved 0.0056 0.0536 0.1688
Treponema pallidum pfs protein (pfs) 0.0029 0.0142 1
Trypanosoma brucei uridine phosphorylase 0.0029 0.0142 0.0447
Schistosoma mansoni purine nucleoside phosphorylase 0.014 0.1752 0.1752
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0682 0.2145
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Schistosoma mansoni purine nucleoside phosphorylase 0.014 0.1752 0.1752
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0404 0.0872
Plasmodium falciparum glutathione reductase 0.0047 0.0404 0.0834
Echinococcus multilocularis ubiquitin specific protease 41 0.004 0.0306 0.0306
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Leishmania major oligopeptidase b 0.0056 0.0536 0.1688
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Plasmodium falciparum metacaspase 1 0.0048 0.0421 0.0872
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0111 0.1331 0.1331
Brugia malayi glutathione reductase 0.0047 0.0404 0.0404
Echinococcus granulosus prolyl endopeptidase 0.0056 0.0536 0.0536
Schistosoma mansoni caspase-3 (C14 family) 0.0127 0.1571 0.1571
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1277 0.276
Mycobacterium tuberculosis Probable peptidase 0.0056 0.0536 0.1159
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0338 0.4629 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0029 0.0142 0.2647
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0111 0.1331 0.1331
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.0536 1
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0682 0.0682
Plasmodium vivax glutathione reductase, putative 0.0047 0.0404 0.0834
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0238 0.3177 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0056 0.0536 0.245
Trypanosoma brucei oligopeptidase b 0.0056 0.0536 0.1688
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0536 0.3062
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Plasmodium falciparum peptidase, putative 0.0056 0.0536 0.1122
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0267
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Echinococcus granulosus caspase 2 0.0093 0.1072 0.1072
Brugia malayi Cell death protein 3 precursor 0.0093 0.1072 0.1072
Loa Loa (eye worm) prolyl oligopeptidase 0.0708 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0062 0.0629 0.1978
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0682 0.0682
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
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
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0338 0.4629 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0708 1 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
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.014 0.1752 1
Schistosoma mansoni uridine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.004 0.0306 0.0306
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0029 0.0142 0.0447
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0019 0.0041
Mycobacterium tuberculosis Hypothetical protein 0.0029 0.0142 0.0307
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0019 0.0019

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 94 % Compound was tested for percent inhibition of the Estradiol (E2) induced cell proliferation ChEMBL. 8164253
Activity (binding) = 103 % Antiestrogenic activity against Estradiol (E2) induced cell proliferation ChEMBL. 8164253
ng of DNA/dish (functional) = 662 Inhibition of E2-induced proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
ng of DNA/dish (functional) = 679 Stimulation of basal cell proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
ng of DNA/dish (functional) = 1326 Stimulation of basal cell proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
ng of DNA/dish (functional) = 1403 Inhibition of E2-induced proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
RBA (binding) = 1.2 % Relative binding affinity (RBA) on estrogen receptor was measured by in vitro using cytosol from the immature rat uterus ChEMBL. 8164253

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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