Detailed information for compound 1459583

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)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-KLSDSACESA-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 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
Entamoeba histolytica hypothetical protein, conserved 0.0056 0.0536 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0682 0.0682
Trypanosoma brucei oligopeptidase b 0.0056 0.0536 0.1688
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0238 0.3177 1
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
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0536 0.3062
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
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
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
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
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 caspase 2 0.0093 0.1072 0.1072
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
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
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.014 0.1752 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0045 0.0373 0.0373
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0056 0.0536 0.1688
Schistosoma mansoni uridine phosphorylase 0.0029 0.0142 0.0142
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
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
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
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
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
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
Echinococcus multilocularis caspase 3 0.0079 0.0871 0.0871
Trypanosoma brucei Metacaspase-4 0.0048 0.0421 0.1325
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.004 0.0306 0.0964
Leishmania major methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
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
Trypanosoma brucei uridine phosphorylase 0.0029 0.0142 0.0447
Treponema pallidum pfs protein (pfs) 0.0029 0.0142 1
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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.0404 0.0872
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
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
Leishmania major oligopeptidase b 0.0056 0.0536 0.1688
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0338 0.4629 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1331 0.1331
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0404 0.0404
Plasmodium falciparum metacaspase 1 0.0048 0.0421 0.0872
Echinococcus granulosus prolyl endopeptidase 0.0056 0.0536 0.0536
Schistosoma mansoni caspase-3 (C14 family) 0.0127 0.1571 0.1571
Brugia malayi glutathione reductase 0.0047 0.0404 0.0404
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.1277 0.276
Brugia malayi hypothetical protein 0.0182 0.2363 0.2363
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
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
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 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
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Leishmania major trypanothione reductase 0.0047 0.0404 0.127
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
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
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
Onchocerca volvulus Cell death protein 3 homolog 0.0093 0.1072 0.0726
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0682 0.0682
Echinococcus multilocularis acylamino acid releasing enzyme 0.0056 0.0536 0.0536
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
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
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Trypanosoma cruzi metacaspase, putative 0.0048 0.0421 0.1325
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
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
Toxoplasma gondii hypothetical protein 0.0056 0.0536 0.1638
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
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
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
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0404 0.0834
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
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0019 0.006
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
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
Echinococcus granulosus Dipeptidyl peptidase 9 0.0238 0.3177 0.3177
Loa Loa (eye worm) hypothetical protein 0.0045 0.0373 0.0373
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
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0238 0.3177 1
Echinococcus granulosus uridine phosphorylase 1 0.0029 0.0142 0.0142
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0056 0.0536 0.1688
Toxoplasma gondii prolyl endopeptidase 0.0056 0.0536 0.1638
Leishmania major nucleoside phosphorylase-like protein 0.0029 0.0142 0.0447
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0708 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
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
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
Trichomonas vaginalis conserved hypothetical protein 0.0048 0.0421 0.2404
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0019 0.0108
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Brugia malayi Thioredoxin reductase 0.0047 0.0404 0.0404
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
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
Brugia malayi prolyl oligopeptidase family protein 0.0056 0.0536 0.0536
Loa Loa (eye worm) hypothetical protein 0.0048 0.0421 0.0421
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
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
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
Toxoplasma gondii phosphorylase family protein 0.0029 0.0142 0.0389
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
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
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
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
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0338 0.4629 1
Loa Loa (eye worm) uridine phosphorylase 0.0029 0.0142 0.0142
Schistosoma mansoni methylthioadenosine phosphorylase 0.0029 0.0142 0.0142
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
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
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0142 0.0811
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.014 0.1752 0.1432
Entamoeba histolytica fatty acid elongase, putative 0.0044 0.0359 0.6694
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0029 0.0142 0.0447
Echinococcus multilocularis purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma brucei metacaspase 0.0048 0.0421 0.1325
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0019 0.0041
Treponema pallidum uridine phosphorylase (udp) 0.0029 0.0142 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0682 0.1472
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0708 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.1277 0.276
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
Schistosoma mansoni prolyl oligopeptidase (S09 family) 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
Trypanosoma cruzi metacaspase 5, putative 0.0048 0.0421 0.1325
Trypanosoma brucei trypanothione reductase 0.0047 0.0404 0.127
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
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
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
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
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1403 0.1403
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0306 0.1749
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
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
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0029 0.0142 0.2647
Giardia lamblia UPL-1 0.0029 0.0142 0.0811
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
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 ubiquitin specific protease 41 0.004 0.0306 0.0306
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.1451 0.3135
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
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0682 0.2098
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0048 0.0421 0.2404
Giardia lamblia Alanyl dipeptidyl peptidase 0.0056 0.0536 0.3062
Plasmodium falciparum thioredoxin reductase 0.0047 0.0404 0.0834
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0056 0.0536 0.1638
Plasmodium vivax hypothetical protein, conserved 0.0048 0.0421 0.0872
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0056 0.0536 0.0536
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
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 5'-methylthioadenosine phosphorylase 0.0029 0.0142 0.0307
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
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
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0682 0.0682
Loa Loa (eye worm) hypothetical protein 0.0056 0.0536 0.0536
Trypanosoma brucei metacaspase MCA2 0.0048 0.0421 0.1325
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0404 0.0404
Schistosoma mansoni ap endonuclease 0.002 0.0019 0.0019
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0682 0.1472
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
Brugia malayi MTAP 0.0029 0.0142 0.0142
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0029 0.0142 0.0811
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
Schistosoma mansoni caspase-7 (C14 family) 0.0093 0.1072 0.1072
Echinococcus granulosus purine nucleoside phosphorylase 0.014 0.1752 0.1752
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0019 0.006
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0127 0.1571 0.1571
Schistosoma mansoni caspase-7 (C14 family) 0.0127 0.1571 0.1571
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

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
Binding (functional) = 662 (ng of DNA) dish-1 Inhibition of E2-induced proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
Binding (functional) = 679 (ng of DNA) dish-1 Stimulation of basal cell proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
Binding (functional) = 1326 (ng of DNA) dish-1 Stimulation of basal cell proliferation of ZR-75-1 cells at 1 uM ChEMBL. 8164253
Binding (functional) = 1403 (ng of DNA) dish-1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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