Detailed information for compound 1410574

Basic information

Technical information
  • TDR Targets ID: 1410574
  • Name: 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl) -6-thiophen-2-ylpteridin-7-one
  • MW: 386.471 | Formula: C18H22N6O2S
  • H donors: 0 H acceptors: 3 LogP: 1.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c2nc(ncc2nc(c1=O)c1cccs1)N1CCN(CC1)C
  • InChi: 1S/C18H22N6O2S/c1-22-5-7-23(8-6-22)18-19-12-13-16(21-18)24(9-10-26-2)17(25)15(20-13)14-4-3-11-27-14/h3-4,11-12H,5-10H2,1-2H3
  • InChiKey: QGIFRRHZHLABES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-6-(2-thienyl)pteridin-7-one
  • 8-(2-methoxyethyl)-2-(4-methyl-1-piperazinyl)-6-(2-thienyl)-7-pteridinone
  • 8-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-pteridin-7-one
  • NCGC00010664
  • PCOP-221385

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens caspase 7, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis caspase Get druggable targets OG5_130238 All targets in OG5_130238
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K04397 caspase 7, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni caspase-3 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma brucei gambiense ubiquitin carboxyl-terminal hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Echinococcus granulosus ubiquitin specific protease 41 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania infantum ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase Get druggable targets OG5_130238 All targets in OG5_130238
Echinococcus multilocularis caspase 3 Get druggable targets OG5_130238 All targets in OG5_130238
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni caspase-7 (C14 family) Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K02187 caspase 3, apoptosis-related cysteine protease, putative Get druggable targets OG5_130238 All targets in OG5_130238
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127431 All targets in OG5_127431
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi Cell death protein 3 precursor caspase 7, apoptosis-related cysteine peptidase 303 aa 256 aa 37.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.1246 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.3276 0.6062
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0134 0.3675 0.4988
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5191 0.6927
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Loa Loa (eye worm) carbonic anhydrase 3 0.0134 0.3675 0.4988
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.0328 0.0062
Schistosoma mansoni carbonic anhydrase-related 0.0063 0.1017 0.1417
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.3276 0.4224
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Trypanosoma cruzi metacaspase, putative 0.0053 0.0655 0.0976
Echinococcus granulosus caspase 8 0.0053 0.0655 0.0523
Schistosoma mansoni caspase-3 (C14 family) 0.0141 0.393 0.7408
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.1246 0.1888
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0518 0.033
Plasmodium falciparum metacaspase-like protein 0.0053 0.0655 0.391
Schistosoma mansoni survival motor neuron protein 0.0048 0.0438 0.0226
Echinococcus granulosus carbonic anhydrase II 0.0134 0.3675 0.4787
Onchocerca volvulus Cell death protein 3 homolog 0.0103 0.251 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0422 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1739 0.2901
Schistosoma mansoni carbonic anhydrase-related 0.0063 0.1017 0.1417
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0582 0.0263
Brugia malayi Cell death protein 3 precursor 0.0103 0.251 0.3408
Echinococcus granulosus carbonic anhydrase 0.0063 0.1017 0.1035
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Loa Loa (eye worm) hypothetical protein 0.005 0.0518 0.0703
Trypanosoma brucei Metacaspase-4 0.0053 0.0655 0.0976
Plasmodium vivax metacaspase 1, putative 0.0053 0.0655 1
Plasmodium falciparum carbonic anhydrase 0.0063 0.1017 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.3276 0.6062
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Schistosoma mansoni carbonic anhydrase 0.0063 0.1017 0.1417
Loa Loa (eye worm) hypothetical protein 0.0063 0.1017 0.1381
Brugia malayi Melibiase family protein 0.0082 0.1739 0.236
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0134 0.3675 1
Onchocerca volvulus 0.0048 0.0438 0.0691
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0655 0.027
Loa Loa (eye worm) acetyltransferase 0.0175 0.5191 0.7045
Leishmania major carbonic anhydrase-like protein 0.0134 0.3675 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.1246 0.2743
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0655 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.7367 1
Leishmania major metacaspase, putative 0.0053 0.0655 0.0976
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0853 0.1081
Toxoplasma gondii melibiase subfamily protein 0.0124 0.3276 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1739 0.236
Trypanosoma cruzi metacaspase, putative 0.0053 0.0655 0.0976
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0063 0.1017 0.1381
Loa Loa (eye worm) hypothetical protein 0.0063 0.1017 0.1381
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0141 0.393 0.5148
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Brugia malayi PAS domain containing protein 0.0059 0.0853 0.1158
Echinococcus multilocularis caspase 0.0141 0.393 0.5148
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0655 0.027
Brugia malayi hypothetical protein 0.005 0.0518 0.0703
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0328 0.0062
Schistosoma mansoni hypothetical protein 0.0048 0.0438 0.0226
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.7188 0.9757
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0518 0.033
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.5444 0.7389
Loa Loa (eye worm) hypothetical protein 0.0103 0.251 0.3408
Trypanosoma cruzi metacaspase, putative 0.0053 0.0655 0.0976
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1246 0.1358
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0063 0.1017 0.1381
Loa Loa (eye worm) hypothetical protein 0.0063 0.1017 0.1381
Echinococcus multilocularis carbonic anhydrase 0.0063 0.1017 0.1035
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.0328 0.0445
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0134 0.3675 0.4988
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5191 1
Schistosoma mansoni hypothetical protein 0.005 0.0518 0.0391
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0063 0.1017 0.1381
Loa Loa (eye worm) hypothetical protein 0.0045 0.0328 0.0445
Brugia malayi hypothetical protein 0.0197 0.6013 0.8162
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0053 0.0655 0.027
Schistosoma mansoni hypothetical protein 0.0063 0.1017 0.1417
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Schistosoma mansoni caspase-7 (C14 family) 0.0141 0.393 0.7408
Brugia malayi hypothetical protein 0.0233 0.7367 1
Echinococcus granulosus caspase 2 0.0103 0.251 0.3143
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Echinococcus multilocularis carbonic anhydrase 0.0063 0.1017 0.1035
Trypanosoma brucei metacaspase 0.0053 0.0655 0.0976
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0134 0.3675 0.6883
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0284 0.0386
Trypanosoma brucei metacaspase MCA3 0.0053 0.0655 0.0976
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0422 1
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.0328 0.0062
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0328 0.0062
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0141 0.393 0.5148
Trypanosoma brucei metacaspase MCA2 0.0053 0.0655 0.0976
Trichomonas vaginalis NAD(P)H dehydrogenase, putative 0.0304 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0582 0.0263
Schistosoma mansoni single-minded 0.0059 0.0853 0.1081
Schistosoma mansoni carbonic anhydrase-related 0.0063 0.1017 0.1417
Loa Loa (eye worm) hypothetical protein 0.0053 0.0655 0.0889
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0053 0.0655 0.0889
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.3276 0.6062
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0655 0.0976
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.0328 0.0062
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0063 0.1017 0.1381
Toxoplasma gondii hypothetical protein 0.0063 0.1017 0.1615
Onchocerca volvulus 0.005 0.0518 0.1051
Echinococcus multilocularis carbonic anhydrase 0.0063 0.1017 0.1035
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.0328 0.0062
Trypanosoma brucei carbonic anhydrase-like protein 0.0134 0.3675 1
Echinococcus multilocularis caspase 8 0.0053 0.0655 0.0523
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0053 0.0655 0.0338
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5191 0.7045
Echinococcus multilocularis caspase 2 0.0103 0.251 0.3143
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0134 0.3675 0.6883
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0063 0.1017 0.1381
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.3276 0.4224
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1246 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.1739 0.1459
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.3276 0.4224
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0655 0.0338
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0134 0.3675 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.3276 0.6062
Echinococcus granulosus caspase 3 0.0088 0.1938 0.2335
Brugia malayi hypoxia-induced factor 1 0.0182 0.5444 0.7389
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.1246 0.1692
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0053 0.0655 0.0672
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0582 0.0421
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.1246 0.1358
Loa Loa (eye worm) hypothetical protein 0.0197 0.6013 0.8162
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.7367 1
Echinococcus granulosus caspase 0.0141 0.393 0.5148
Brugia malayi follicle stimulating hormone receptor 0.0229 0.7188 0.9757
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1072 0.1455
Trypanosoma cruzi metacaspase, putative 0.0053 0.0655 0.0976
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0134 0.3675 0.4988
Echinococcus multilocularis caspase 3 0.0088 0.1938 0.2335
Trypanosoma brucei metacaspase 5, putative 0.0053 0.0655 0.0976
Trypanosoma cruzi metacaspase 5, putative 0.0053 0.0655 0.0976
Echinococcus multilocularis carbonic anhydrase II 0.0134 0.3675 0.4787
Echinococcus granulosus carbonic anhydrase 0.0063 0.1017 0.1035
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.1739 0.2901
Echinococcus granulosus carbonic anhydrase 0.0063 0.1017 0.1035
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0063 0.1017 0.1381
Schistosoma mansoni caspase-7 (C14 family) 0.0103 0.251 0.4488
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5007 0.6668
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.7367 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.1246 1
Plasmodium falciparum metacaspase 1 0.0053 0.0655 0.391
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0438 0.0594

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 31.6227766 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference

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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