Detailed information for compound 515611

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 280.361 | Formula: C19H20O2
  • H donors: 0 H acceptors: 1 LogP: 4.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(ccc1OC)c1ccc2c(c1)CCCC2=O
  • InChi: 1S/C19H20O2/c1-3-13-11-15(8-10-19(13)21-2)14-7-9-17-16(12-14)5-4-6-18(17)20/h7-12H,3-6H2,1-2H3
  • InChiKey: BYBHVALQLXWGDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein hydroxysteroid (17-beta) dehydrogenase 1 328 aa 265 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Mycobacterium tuberculosis Conserved protein 0.0036 0.0721 0.1206
Echinococcus multilocularis Protein lozenge 0.0055 0.1161 0.1943
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0554 0.0927
Onchocerca volvulus 0.0437 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0721 0.1206
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0792 0.6872
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0721 0.1206
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.2099 0.3515
Mycobacterium leprae probable uridine phosphorylase 0.0054 0.1152 0.1928
Treponema pallidum uridine phosphorylase (udp) 0.0054 0.1152 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0013 0.0195 0.1689
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0263 0.5972 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0013 0.0195 0.1683
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.058 0.0969
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0195 1
Trypanosoma brucei trypanothione reductase 0.0038 0.0763 0.6623
Onchocerca volvulus Globin homolog 0.0008 0.0086 0.0086
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0013 0.0195 0.0324
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0721 0.6259
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1767
Brugia malayi MTAP 0.0054 0.1152 0.1151
Schistosoma mansoni purine nucleoside phosphorylase 0.0263 0.5972 1
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0005 0.0001 0.0008
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.1056 0.1767
Plasmodium vivax hypothetical protein, conserved 0.0005 0.0001 0.0008
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.0001 0.0008
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0054 0.1152 1
Echinococcus granulosus geminin 0.0167 0.376 0.6295
Trypanosoma cruzi trypanothione reductase, putative 0.0013 0.0195 0.1683
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0195 0.0324
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0054 0.1152 0.1928
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.3133 0.5246
Loa Loa (eye worm) uridine phosphorylase 0.0054 0.1152 0.1151
Echinococcus granulosus methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.2099 0.3515
Brugia malayi Globin family protein 0.0008 0.0086 0.0086
Onchocerca volvulus 0.0008 0.0086 0.0086
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0721 0.1206
Leishmania major trypanothione reductase 0.0038 0.0763 0.6623
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.0763 0.6623
Schistosoma mansoni methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0263 0.5972 1
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0792 0.1325
Mycobacterium tuberculosis Conserved protein 0.0036 0.0721 0.1206
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Toxoplasma gondii oxidoreductase, putative 0.0005 0.0001 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0721 0.6259
Schistosoma mansoni methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.058 0.5033
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0873 0.1461
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.058 0.0969
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0054 0.1152 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.1056 0.9166
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1152 0.1928
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0054 0.1152 0.1928
Toxoplasma gondii Purine nucleoside phosphorylase 0.0054 0.1152 1
Brugia malayi Globin family protein 0.0008 0.0086 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1767
Loa Loa (eye worm) runx1 0.0055 0.1161 0.116
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0721 0.1206
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.1878 0.3144
Plasmodium falciparum thioredoxin reductase 0.0013 0.0195 0.1683
Echinococcus multilocularis uridine phosphorylase 1 0.0054 0.1152 0.1928
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0263 0.5972 1
Onchocerca volvulus 0.0036 0.0721 0.072
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.058 0.0969
Mycobacterium tuberculosis Probable reductase 0.0086 0.1878 0.3144
Trichomonas vaginalis mercuric reductase, putative 0.0013 0.0195 0.0324
Giardia lamblia UPL-1 0.0054 0.1152 0.1928
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.0763 0.0762
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Schistosoma mansoni myoglobin 1 0.0008 0.0086 0.0143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0721 0.072
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Echinococcus multilocularis purine nucleoside phosphorylase 0.0209 0.4713 0.7892
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0721 0.1206
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0721 0.1206
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.058 0.0969
Plasmodium vivax steroid dehydrogenase, putative 0.0005 0.0001 0.0008
Toxoplasma gondii ABC1 family protein 0.0036 0.0721 0.6262
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0263 0.5972 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Plasmodium falciparum thioredoxin reductase 0.0038 0.0763 0.6623
Loa Loa (eye worm) acetyltransferase 0.0144 0.3227 0.3226
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0721 0.1206
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.0763 0.6626
Giardia lamblia Kinase, CMGC MAPK 0.005 0.1056 0.1767
Mycobacterium tuberculosis Probable monooxygenase 0.0008 0.0086 0.0143
Leishmania major methylthioadenosine phosphorylase, putative 0.0054 0.1152 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Brugia malayi beta-lactamase family protein 0.0036 0.0721 0.072
Brugia malayi Hypothetical 22.2 kDa protein C28F5.2 in chromosome II, putative 0.0008 0.0086 0.0086
Mycobacterium ulcerans monooxygenase 0.0008 0.0086 0.0143
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.3227 0.5403
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0054 0.1152 0.1928
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0775 0.1296
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0013 0.0195 0.0324
Toxoplasma gondii oxidoreductase, putative 0.0005 0.0001 0.0008
Schistosoma mansoni methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Schistosoma mansoni lozenge 0.0055 0.1161 0.1943
Loa Loa (eye worm) globin family protein 0.0008 0.0086 0.0086
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0054 0.1152 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0195 0.1683
Toxoplasma gondii phosphorylase family protein 0.0054 0.1152 1
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.1152 0.1928
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.0001 0.0008
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.1056 0.1767
Loa Loa (eye worm) glutathione reductase 0.0038 0.0763 0.0762
Onchocerca volvulus 0.0036 0.0721 0.072
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0013 0.0195 0.1683
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.058 0.0969
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0873 0.1461
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0013 0.0195 0.1689
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1056 0.9166
Toxoplasma gondii thioredoxin reductase 0.0038 0.0763 0.6626
Schistosoma mansoni hypothetical protein 0.0167 0.376 0.6295
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0013 0.0195 0.1689
Onchocerca volvulus 0.0008 0.0086 0.0086
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Schistosoma mansoni serine/threonine protein kinase 0.005 0.1056 0.1767
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.2099 0.3515
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0013 0.0195 0.0324
Echinococcus multilocularis geminin 0.0167 0.376 0.6295
Toxoplasma gondii NADPH-glutathione reductase 0.0013 0.0195 0.1689
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.1056 0.9166
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0263 0.5972 0.5971
Schistosoma mansoni purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.1878 0.3144
Onchocerca volvulus 0.0008 0.0086 0.0086
Brugia malayi beta-lactamase family protein 0.0036 0.0721 0.072
Brugia malayi hypothetical protein 0.0008 0.0086 0.0086
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.1878 0.3144
Plasmodium vivax glutathione reductase, putative 0.0038 0.0763 0.6626
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0721 0.1206
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0873 0.7584
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Schistosoma mansoni uridine phosphorylase 0.0054 0.1152 0.1928
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0013 0.0195 0.1683
Brugia malayi glutathione reductase 0.0038 0.0763 0.0762
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Mycobacterium tuberculosis Conserved protein 0.0036 0.0721 0.1206
Onchocerca volvulus 0.003 0.058 0.0579
Schistosoma mansoni hypothetical protein 0.0008 0.0086 0.0143
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0263 0.5972 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0721 0.1206
Leishmania major hypothetical protein, conserved 0.0036 0.0721 0.6259
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0115 0.0114
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.2099 0.3515
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.1056 0.1767
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.1878 0.3144
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.058 0.0969
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0775 0.1296
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0195 0.1683
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0054 0.1152 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium ulcerans lipase LipD 0.0036 0.0721 0.1206
Loa Loa (eye worm) hypothetical protein 0.003 0.058 0.0579
Echinococcus granulosus uridine phosphorylase 1 0.0054 0.1152 0.1928
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.3227 0.5403
Schistosoma mansoni uridine phosphorylase 0.0054 0.1152 0.1928
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0054 0.1152 1
Schistosoma mansoni globin X 0.0008 0.0086 0.0143
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0013 0.0195 0.1683
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0013 0.0195 0.1683
Plasmodium falciparum purine nucleoside phosphorylase 0.0054 0.1152 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.058 0.0969
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.1878 0.3144
Leishmania major adenylate cyclase-like protein 0.0008 0.0086 0.0744
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1767
Echinococcus multilocularis purine nucleoside phosphorylase 0.0209 0.4713 0.7892
Giardia lamblia NADH oxidase lateral transfer candidate 0.0013 0.0195 0.0324
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0054 0.1152 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0792 0.6872
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0721 0.1206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0054 0.1152 0.1928
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Brugia malayi hypothetical protein 0.0008 0.0086 0.0086
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0721 0.1206
Brugia malayi Pre-SET motif family protein 0.0207 0.468 0.468
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0013 0.0195 0.1683
Chlamydia trachomatis AMP nucleosidase 0.0054 0.1152 1
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0005 0.0001 0.0008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0873 0.1461
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.3227 0.3226
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0721 0.1206
Trichomonas vaginalis glutathione reductase, putative 0.0013 0.0195 0.0324
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.1152 0.1928
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Brugia malayi Thioredoxin reductase 0.0038 0.0763 0.0762
Trichomonas vaginalis set domain proteins, putative 0.0236 0.5341 0.8945
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0721 0.6259
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0721 0.1206
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0054 0.1152 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Plasmodium falciparum glutathione reductase 0.0038 0.0763 0.6623
Plasmodium falciparum glutathione reductase 0.0013 0.0195 0.1683
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.1878 0.3144
Mycobacterium ulcerans hypothetical protein 0.0036 0.0721 0.1206
Leishmania major nucleoside phosphorylase-like protein 0.0054 0.1152 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0013 0.0195 0.0324
Onchocerca volvulus 0.0036 0.0721 0.072
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0873 0.7584
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0721 0.1206
Echinococcus multilocularis purine nucleoside phosphorylase 0.0263 0.5972 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0054 0.1152 0.1151
Brugia malayi uridine phosphorylase family protein 0.0054 0.1152 0.1151
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.1152 0.1928
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0721 0.072
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.0763 0.1277
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0115 0.0114
Brugia malayi hypothetical protein 0.0008 0.0086 0.0086
Treponema pallidum pfs protein (pfs) 0.0054 0.1152 1
Brugia malayi Pre-SET motif family protein 0.003 0.058 0.0579
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0195 0.0324
Schistosoma mansoni hypothetical protein 0.0167 0.376 0.6295
Loa Loa (eye worm) hypothetical protein 0.0209 0.4713 0.4712
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.1056 0.9166
Brugia malayi MAP kinase sur-1 0.005 0.1056 0.1055
Trypanosoma brucei protein kinase, putative 0.005 0.1056 0.9166
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0229 0.5184 0.8681
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.0001 0.0008
Onchocerca volvulus 0.0008 0.0086 0.0086
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0054 0.1152 1
Trypanosoma brucei uridine phosphorylase 0.0054 0.1152 1
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Brugia malayi hypothetical protein 0.0008 0.0086 0.0086
Trichomonas vaginalis CMGC family protein kinase 0.005 0.1056 0.1767
Brugia malayi beta-lactamase 0.0036 0.0721 0.072
Trichomonas vaginalis esterase, putative 0.0036 0.0721 0.1206
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0721 0.1206
Loa Loa (eye worm) hypothetical protein 0.0008 0.0086 0.0086
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0721 0.6262
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0721 0.1206
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.1056 0.9166
Loa Loa (eye worm) hypothetical protein 0.0437 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0054 0.1152 0.1928
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0721 0.1206
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0054 0.1152 1
Onchocerca volvulus 0.0236 0.5341 0.5341
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0195 0.0324
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0721 0.1206
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Onchocerca volvulus 0.0008 0.0086 0.0086
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.468 0.468
Loa Loa (eye worm) hypothetical protein 0.0036 0.0721 0.072
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Loa Loa (eye worm) beta-lactamase 0.0036 0.0721 0.072
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.0001 0.0008
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Entamoeba histolytica hypothetical protein 0.0054 0.1152 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.0001 0.0008
Toxoplasma gondii phosphorylase family protein 0.0054 0.1152 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.1056 0.9166
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0721 0.1206
Echinococcus granulosus purine nucleoside phosphorylase 0.0263 0.5972 1
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0005 0.0001 0.0008
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.1056 0.9167
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0209 0.4713 0.7892
Echinococcus granulosus mitogen activated protein kinase 0.005 0.1056 0.1767
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Loa Loa (eye worm) globin family protein 0.0008 0.0086 0.0086
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0013 0.0195 0.1683
Plasmodium vivax SET domain protein, putative 0.003 0.058 0.5033
Toxoplasma gondii carbonyl reductase 1, putative 0.0005 0.0001 0.0008
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0013 0.0195 0.1683
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0873 0.7584
Brugia malayi Globin family protein 0.0008 0.0086 0.0086
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.1056 0.1055
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0054 0.1152 0.1928
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0721 0.1206
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0013 0.0195 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0263 0.5972 0.5971
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0013 0.0195 0.1683
Mycobacterium ulcerans beta-lactamase 0.0036 0.0721 0.1206
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.1056 0.9166
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0195 0.0194
Loa Loa (eye worm) hypothetical protein 0.0437 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8.3 uM Inhibition of 17beta-HSD1 (unknown origin) expressed in intact human T47D cells after 30 mins ChEMBL. 18329273
IC50 (binding) = 8.3 uM Inhibition of 17beta-HSD1 (unknown origin) expressed in intact human T47D cells after 30 mins ChEMBL. 18329273
Inhibition (binding) = 71 % Inhibition of 17beta-HSD1 (unknown origin) expressed in intact human T47D cells at 10 uM after 30 mins ChEMBL. 18329273
Inhibition (binding) = 71 % Inhibition of 17beta-HSD1 (unknown origin) expressed in intact human T47D cells at 10 uM after 30 mins ChEMBL. 18329273

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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