Detailed information for compound 1336491

Basic information

Technical information
  • TDR Targets ID: 1336491
  • Name: 2-morpholin-4-yl-6,8-bis(2-phenylethyl)pterid in-7-one
  • MW: 441.525 | Formula: C26H27N5O2
  • H donors: 0 H acceptors: 3 LogP: 3.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c(CCc2ccccc2)nc2c(n1CCc1ccccc1)nc(nc2)N1CCOCC1
  • InChi: 1S/C26H27N5O2/c32-25-22(12-11-20-7-3-1-4-8-20)28-23-19-27-26(30-15-17-33-18-16-30)29-24(23)31(25)14-13-21-9-5-2-6-10-21/h1-10,19H,11-18H2
  • InChiKey: KAYLPNFSANREGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-morpholino-6,8-bis(2-phenylethyl)pteridin-7-one
  • 2-morpholino-6,8-bis(2-phenylethyl)-7-pteridinone
  • NCGC00011573
  • PCOP-538086

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 2 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 9 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00022 3-hydroxyacyl-CoA dehydrogenase [EC1.1.1.35], putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus ubiquitin specific protease 41 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
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
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
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, 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
Candida albicans ubiquitin-specific protease Get druggable targets OG5_127431 All targets in OG5_127431
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis conserved hypothetical protein 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis ubiquitin specific protease 66 Get druggable targets OG5_127431 All targets in OG5_127431
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR015063,Domain of unknown function DUF1873,domain-containing 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
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania donovani ubiquitin carboxyl-terminal hydrolase, putative Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium parvum ubiquitin C-terminal hydrolase of the cysteine proteinase fold 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
Schistosoma japonicum Ubiquitin carboxyl-terminal hydrolase 8, putative 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
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) Get druggable targets OG5_127431 All targets in OG5_127431
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 Get druggable targets OG5_127431 All targets in OG5_127431
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II Get druggable targets OG5_129031 All targets in OG5_129031
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum IPR001394,Peptidase C19, ubiquitin carboxyl-terminal hydrolase 2,domain-containing 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 donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Leishmania braziliensis ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative Get druggable targets OG5_127431 All targets in OG5_127431
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein Get druggable targets OG5_127431 All targets in OG5_127431
Schistosoma japonicum expressed protein 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
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum hypothetical protein 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01072 ubiquitin thiolesterase [EC3.1.2.15], putative Get druggable targets OG5_127431 All targets in OG5_127431
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 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 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ubiquitin specific protease, putative ubiquitin specific peptidase 2 362 aa 378 aa 25.7 %
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 cytochrome P450, family 2, subfamily C, polypeptide 9 490 aa 441 aa 21.8 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tyrosine protein kinase HCK 0.0047 0.0195 0.0198
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0204 0.0158
Brugia malayi Protein kinase domain containing protein 0.0021 0.0041 0.0036
Echinococcus multilocularis tyrosine protein kinase Srms 0.0055 0.0243 0.0237
Echinococcus multilocularis NCK adaptor protein 0.0016 0.0009 0.0002
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0063 0.029 0.0284
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0351 0.0362
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0522 0.302 0.3169
Schistosoma mansoni patched 1 0.0087 0.0431 0.0449
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0056 0.0246 0.0258
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0029 0.0088 0.0085
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0029 0.0088 0.0089
Brugia malayi Protein kinase domain containing protein 0.0518 0.2999 0.3147
Schistosoma mansoni hypothetical protein 0.0099 0.0504 0.0526
Echinococcus granulosus tyrosine protein kinase Src42A 0.0063 0.029 0.0298
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0204 0.1008
Echinococcus multilocularis 0.0498 0.2879 0.2874
Echinococcus granulosus Niemann Pick C1 protein 0.0202 0.1118 0.1169
Schistosoma mansoni tyrosine kinase 0.0063 0.029 0.0302
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Schistosoma mansoni hypothetical protein 0.0084 0.0412 0.043
Schistosoma mansoni tyrosine kinase 0.0019 0.0024 0.0022
Loa Loa (eye worm) hypothetical protein 0.0039 0.0145 0.0152
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0039 0.0146 0.0154
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0204 0.0309
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0034 0.0115 0.0108
Echinococcus granulosus Niemann Pick C1 protein 0.0289 0.1635 0.1712
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0191 0.0198
Echinococcus granulosus tyrosine protein kinase Src42A 0.0042 0.0164 0.0166
Loa Loa (eye worm) glutamate receptor 0.004 0.0154 0.0162
Entamoeba histolytica hypothetical protein 0.0075 0.0361 0.1945
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0069 0.0326 0.9286
Schistosoma mansoni topbp1 0.002 0.0034 0.0033
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0016 0.0009 0.0009
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0326 0.0336
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0063 0.029 0.0284
Schistosoma mansoni tyrosine kinase 0.0518 0.2999 0.3149
Echinococcus multilocularis expressed conserved protein 0.019 0.1045 0.1039
Brugia malayi hypothetical protein 0.002 0.0034 0.0029
Echinococcus multilocularis nibrin 0.002 0.0034 0.0028
Loa Loa (eye worm) hypothetical protein 0.0202 0.1118 0.1175
Brugia malayi CHE-14 protein 0.0087 0.0431 0.0446
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0063 0.029 0.0284
Echinococcus granulosus tyrosine protein kinase Fyn 0.0063 0.029 0.0298
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0351 0.0576
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Echinococcus multilocularis tyrosine protein kinase Abl 0.0029 0.0088 0.0081
Onchocerca volvulus 0.0021 0.0041 0.032
Loa Loa (eye worm) RGC/RGC protein kinase 0.0017 0.0015 0.0016
Echinococcus granulosus tyrosine protein kinase shark 0.0021 0.0041 0.0036
Echinococcus granulosus growth factor receptor bound protein 2 0.0016 0.0009 0.0002
Schistosoma mansoni tyrosine kinase 0.0017 0.0015 0.0013
Echinococcus multilocularis aryl hydrocarbon receptor 0.0056 0.0246 0.0239
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.018 0.098
Brugia malayi Protein kinase domain containing protein 0.0021 0.0041 0.0036
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0034 0.0125
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Schistosoma mansoni metabotropic glutamate receptor 0.002 0.0031 0.0029
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0063 0.029 0.0284
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0099 0.0504 0.0523
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0204 0.5653
Echinococcus granulosus epidermal growth factor receptor 0.1612 0.9517 1
Brugia malayi Sex muscle abnormal protein 5 0.0016 0.0009 0.0002
Loa Loa (eye worm) hypothetical protein 0.005 0.0209 0.022
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0191 0.0194
Onchocerca volvulus Protein cycle homolog 0.0039 0.0146 0.164
Echinococcus multilocularis tyrosine protein kinase HCK 0.0047 0.0195 0.0189
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0202 0.1118 0.6445
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.018 0.0173
Loa Loa (eye worm) hypothetical protein 0.0049 0.0204 0.0214
Echinococcus multilocularis tyrosine protein kinase shark 0.0021 0.0041 0.0034
Onchocerca volvulus Huntingtin homolog 0.0125 0.0657 0.8027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0055 0.0243 0.0237
Loa Loa (eye worm) TK protein kinase 0.0047 0.0195 0.0205
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0868 0.5085 0.534
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0063 0.029 0.0284
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0034 0.0125
Brugia malayi hypothetical protein 0.0125 0.0657 0.0684
Schistosoma mansoni ephrin receptor 0.0017 0.0014 0.0011
Brugia malayi Cytochrome P450 family protein 0.0055 0.0239 0.0244
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Loa Loa (eye worm) hypothetical protein 0.0045 0.018 0.0189
Echinococcus multilocularis epidermal growth factor receptor 0.0868 0.5085 0.5082
Loa Loa (eye worm) TK protein kinase 0.0016 0.0007 0.0007
Schistosoma mansoni tyrosine kinase 0.0518 0.2999 0.3149
Echinococcus granulosus tyrosine kinase 0.0055 0.0243 0.0249
Loa Loa (eye worm) hypothetical protein 0.0016 0.0009 0.0009
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.018 0.4942
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.018 0.0866
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.018 0.0182
Brugia malayi SRC-1 0.0063 0.029 0.0298
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.018 0.0182
Loa Loa (eye worm) TK protein kinase 0.0055 0.0243 0.0256
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0145 0.0152
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0351 0.0576
Loa Loa (eye worm) TK/EGFR protein kinase 0.1612 0.9517 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.0361 0.0355
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0351 0.0344
Brugia malayi Receptor family ligand binding region containing protein 0.0017 0.0015 0.0009
Brugia malayi SH2 domain containing protein 0.0021 0.0041 0.0036
Echinococcus granulosus insulin receptor 0.0518 0.2999 0.3147
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0204 0.0309
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0063 0.029 0.0298
Echinococcus granulosus tyrosine protein kinase Src64B 0.0063 0.029 0.0298
Brugia malayi Furin-like cysteine rich region family protein 0.1612 0.9517 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.018 0.0173
Entamoeba histolytica hypothetical protein 0.0075 0.0361 0.1945
Entamoeba histolytica hypothetical protein 0.0075 0.0361 0.1945
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0009 0.0002
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0204 0.0309
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0034 0.0125
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0161 0.0873 0.0917
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0069 0.0326 0.0385
Schistosoma mansoni topbp1 0.002 0.0034 0.0033
Schistosoma mansoni hypothetical protein 0.0084 0.0412 0.043
Schistosoma mansoni tyrosine kinase 0.0855 0.5006 0.5258
Schistosoma mansoni tyrosine kinase 0.0868 0.5085 0.5341
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Schistosoma mansoni tyrosine kinase 0.0063 0.029 0.0302
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0148 0.0794 0.125
Onchocerca volvulus 0.0019 0.0027 0.0143
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0137
Echinococcus granulosus sterol regulatory element binding protein 0.0087 0.0431 0.0446
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0034 0.0125
Schistosoma mansoni DNA ligase IV 0.002 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0039 0.0146 0.0147
Onchocerca volvulus 0.0021 0.0041 0.032
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0205 0.1137 0.1191
Schistosoma mansoni tyrosine kinase 0.1612 0.9517 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0204 0.2443
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.018 0.0182
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0326 0.0533
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0204 0.2443
Echinococcus granulosus survival motor neuron protein 1 0.0486 0.2806 0.2944
Echinococcus multilocularis metabotropic glutamate receptor 5 0.005 0.0209 0.0203
Entamoeba histolytica hypothetical protein 0.0075 0.0361 0.1945
Brugia malayi Tyrosine-protein kinase abl-1 0.0029 0.0088 0.0085
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.018 0.0173
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0204 0.5653
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0021 0.0041 0.004
Onchocerca volvulus 0.002 0.0034 0.0237
Echinococcus granulosus metabotropic glutamate receptor 5 0.005 0.0209 0.0213
Loa Loa (eye worm) hypothetical protein 0.0017 0.0013 0.0014
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0131 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0069 0.0326 0.0336
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0069 0.0326 0.034
Brugia malayi PAS domain containing protein 0.0017 0.0013 0.0007
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0021 0.0041 0.0034
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0055 0.0243 0.0249
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0034 0.0125
Brugia malayi Immunoglobulin I-set domain containing protein 0.0161 0.0873 0.0911
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0204 0.0309
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0131 0.0022
Echinococcus granulosus nibrin 0.002 0.0034 0.0029
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.018 0.0866
Echinococcus granulosus c src tyrosine kinase 0.0029 0.0088 0.0085
Loa Loa (eye worm) hypothetical protein 0.0039 0.0145 0.0152
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0034 0.1276
Schistosoma mansoni tyrosine kinase 0.0868 0.5085 0.5341
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0016 0.0009 0.0006
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0017 0.0015 0.0008
Schistosoma mansoni microtubule-associated protein tau 0.0714 0.4168 0.4378
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0191 0.0194
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.018 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0547 0.0575
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0069 0.0326 0.032
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0063 0.029 0.0284
Entamoeba histolytica protein kinase, putative 0.0047 0.0195 0.0957
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0204 0.5653
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Echinococcus granulosus microtubule associated protein 2 0.0714 0.4168 0.4376
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0137
Onchocerca volvulus 0.0049 0.0204 0.2358
Echinococcus granulosus geminin 0.0175 0.0959 0.1001
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0017 0.0015 0.0008
Onchocerca volvulus 0.0021 0.0041 0.032
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0029 0.0088 0.0081
Chlamydia trachomatis DNA ligase 0.002 0.0034 0.1811
Brugia malayi hypothetical protein 0.0021 0.0041 0.0036
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0204 0.0309
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0009 0.0006
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0034 0.0028
Echinococcus multilocularis protein patched 0.0087 0.0431 0.0424
Onchocerca volvulus 0.0136 0.0722 0.8838
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0351 0.0365
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.018 1
Brugia malayi hypothetical protein 0.0486 0.2806 0.2944
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0137
Mycobacterium ulcerans haloalkane dehalogenase 0.0941 0.5521 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.0361 0.0373
Schistosoma mansoni metabotropic glutamate receptor 0.0034 0.0115 0.0117
Schistosoma mansoni tyrosine kinase 0.0029 0.0088 0.0089
Schistosoma mansoni tyrosine kinase 0.0021 0.0041 0.004
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0204 0.0207
Schistosoma mansoni aryl hydrocarbon receptor 0.0017 0.0015 0.0012
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0941 0.5521 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0055 0.0239 0.0251
Echinococcus multilocularis receptor type guanylyl cyclase 0.0017 0.0015 0.0009
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.018 0.0182
Onchocerca volvulus 0.0021 0.0041 0.032
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0021 0.0041 0.0034
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0063 0.029 0.0298
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.0034 0.0125
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.018 0.0186
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.1716 1
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.0361 0.0376
Echinococcus granulosus aryl hydrocarbon receptor 0.0056 0.0246 0.0251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0191 0.0198
Brugia malayi Protein kinase domain containing protein 0.0021 0.0041 0.0036
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0351 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0148 0.0794 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0204 0.0309
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0351 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0063 0.029 0.0284
Loa Loa (eye worm) hypothetical protein 0.0039 0.0145 0.0152
Schistosoma mansoni cell adhesion molecule 0.0016 0.0007 0.0004
Schistosoma mansoni nck2/grb4 0.0016 0.0009 0.0006
Echinococcus multilocularis survival motor neuron protein 1 0.0486 0.2806 0.2801
Brugia malayi hypothetical protein 0.0055 0.0244 0.0249
Schistosoma mansoni tyrosine kinase 0.0021 0.0041 0.004
Loa Loa (eye worm) hypothetical protein 0.0087 0.0431 0.0452
Loa Loa (eye worm) hypothetical protein 0.0125 0.0657 0.069
Brugia malayi hypothetical protein 0.0075 0.0361 0.0373
Loa Loa (eye worm) hypothetical protein 0.0021 0.0041 0.0043
Echinococcus granulosus NCK adaptor protein 0.0016 0.0009 0.0002
Schistosoma mansoni tyrosine kinase 0.0855 0.5006 0.5258
Brugia malayi protein-tyrosine kinase 0.0055 0.0243 0.0249
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.004 0.0038
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0069 0.0326 0.0533
Echinococcus multilocularis Niemann Pick C1 protein 0.0202 0.1118 0.1112
Brugia malayi Metabotropic glutamate receptor precursor. 0.004 0.0154 0.0155
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Brugia malayi metabotropic glutamate receptor type 2 0.002 0.0031 0.0025
Echinococcus granulosus tyrosine kinase 0.0017 0.0015 0.0009
Schistosoma mansoni survival motor neuron protein 0.0099 0.0504 0.0526
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0191 0.0194
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0034 0.0125
Schistosoma mansoni tyrosine kinase 0.0017 0.0015 0.0013
Loa Loa (eye worm) TK/INSR protein kinase 0.0518 0.2999 0.3151
Onchocerca volvulus 0.0099 0.0504 0.611
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0204 0.0214
Echinococcus multilocularis protein dispatched 1 0.0099 0.0504 0.0497
Loa Loa (eye worm) hypothetical protein 0.0055 0.0244 0.0256
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0191 0.0201
Echinococcus multilocularis growth factor receptor bound protein 2 0.0016 0.0009 0.0002
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0034 0.0029
Echinococcus granulosus epidermal growth factor receptor 0.0868 0.5085 0.534
Onchocerca volvulus 0.0021 0.0041 0.032
Echinococcus multilocularis Niemann Pick C1 protein 0.0289 0.1635 0.1629
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0131 0.0175
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0034 0.0029
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0016 0.0009 0.0009
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0351 0.0365
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0204 0.1008
Echinococcus multilocularis geminin 0.0175 0.0959 0.0952
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0039 0.0145 0.0145
Giardia lamblia Fructose-bisphosphate aldolase 0.0303 0.1716 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0055 0.0243 0.0249
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0191 0.0185
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.018 0.098
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0351 0.0576
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.0034 0.1276
Brugia malayi hypothetical protein 0.002 0.0034 0.0029
Loa Loa (eye worm) hypothetical protein 0.0486 0.2806 0.2949
Loa Loa (eye worm) TK/ABL protein kinase 0.0021 0.0041 0.0043
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0039 0.0146 0.0147
Schistosoma mansoni single-minded 0.0017 0.0013 0.001
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0204 0.0309
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0042 0.0164 0.0158
Schistosoma mansoni hypothetical protein 0.0175 0.0959 0.1004
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Echinococcus multilocularis insulin receptor 0.0518 0.2999 0.2995
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0034 0.0125
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0351 0.0429
Mycobacterium ulcerans hypothetical protein 0.0049 0.0204 0.0309
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0204 0.1008
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0036 0.0131 0.0131
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0148 0.0794 0.1385
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0191 0.0185
Schistosoma mansoni tyrosine kinase 0.0029 0.0088 0.0089
Echinococcus multilocularis tyrosine protein kinase Blk 0.0055 0.0243 0.0237
Schistosoma mansoni hypothetical protein 0.0084 0.0412 0.043
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0021 0.0041 0.0036
Brugia malayi hypothetical protein 0.0039 0.0145 0.0145
Echinococcus granulosus tyrosine protein kinase Lyn 0.0063 0.029 0.0298
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0034 0.0125
Schistosoma mansoni hypothetical protein 0.0175 0.0959 0.1004
Echinococcus granulosus roundabout 2 0.0018 0.0021 0.0015
Echinococcus granulosus replication factor c subunit 1 0.002 0.0034 0.0029
Brugia malayi DKFZp564C0469 protein 0.002 0.0034 0.0029
Brugia malayi SH2 domain containing protein 0.0021 0.0041 0.0036
Loa Loa (eye worm) SRC-1 0.0063 0.029 0.0305
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0131 1
Onchocerca volvulus 0.0021 0.0041 0.032
Echinococcus multilocularis epidermal growth factor receptor 0.1612 0.9517 0.9517
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0034 0.1276
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0063 0.029 0.0284
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.018 0.098
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.018 0.0186
Onchocerca volvulus 0.0055 0.0244 0.2859
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0034 0.0000020563
Echinococcus granulosus metabotropic glutamate receptor 2 0.0034 0.0115 0.0114
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0522 0.302 0.3016
Loa Loa (eye worm) hypothetical protein 0.002 0.0034 0.0036
Schistosoma mansoni protein kinase 0.0017 0.0015 0.0013
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0303 0.1716 1
Brugia malayi Protein kinase domain containing protein 0.0021 0.0041 0.0036
Brugia malayi Protein kinase domain containing protein 0.0021 0.0041 0.0036
Loa Loa (eye worm) glutamate receptor 0.0016 0.0008 0.0009
Brugia malayi hypothetical protein 0.0039 0.0146 0.0147
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0191 0.0198
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0204 0.0207
Schistosoma mansoni hypothetical protein 0.0084 0.0412 0.043
Schistosoma mansoni tyrosine kinase 0.0855 0.5006 0.5258
Echinococcus granulosus expressed conserved protein 0.019 0.1045 0.1092
Echinococcus multilocularis tyrosine kinase 0.0017 0.0015 0.0009
Loa Loa (eye worm) RGC/RGC protein kinase 0.0017 0.0015 0.0016
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0063 0.029 0.0284
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0039 0.0146 0.015
Brugia malayi Variant SH3 domain containing protein 0.0016 0.0009 0.0002
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0299 0.0314
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0034 0.0125
Brugia malayi Guanylyl cyclase protein 23 0.0017 0.0015 0.0009
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0131 1
Schistosoma mansoni adapter molecule crk 0.0016 0.0009 0.0006
Echinococcus granulosus tyrosine protein kinase ABL1 0.0021 0.0041 0.0036
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0137
Loa Loa (eye worm) hypothetical protein 0.0049 0.0204 0.0214
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Schistosoma mansoni growth factor receptor-bound protein 0.0016 0.0009 0.0006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0131 0.0137
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0034 0.1276
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0034 0.0033
Echinococcus granulosus tyrosine protein kinase Fyn 0.0063 0.029 0.0298
Loa Loa (eye worm) TK/ROR protein kinase 0.0016 0.0007 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0431 0.2453
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0204 0.0158
Loa Loa (eye worm) TK/FER protein kinase 0.0021 0.0041 0.0043
Treponema pallidum fructose-bisphosphate aldolase 0.0303 0.1716 1
Onchocerca volvulus Tyrosine kinase homolog 0.0151 0.0815 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0015 0.0016
Echinococcus granulosus tyrosine kinase 0.0021 0.0041 0.0036
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0087 0.0431 0.0452
Echinococcus granulosus Protein patched homolog 1 0.0087 0.0431 0.0446
Echinococcus multilocularis roundabout 2 0.0018 0.0021 0.0014
Echinococcus granulosus tyrosine protein kinase Fyn 0.0063 0.029 0.0298
Echinococcus multilocularis sterol regulatory element binding protein 0.0087 0.0431 0.0424
Echinococcus multilocularis microtubule associated protein 2 0.0714 0.4168 0.4164
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0204 0.0207
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0046 0.0187 0.0193
Echinococcus granulosus tyrosine protein kinase Srms 0.0021 0.0041 0.0036
Echinococcus multilocularis c src tyrosine kinase 0.0029 0.0088 0.0081
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.002 0.0034 0.0273
Echinococcus multilocularis tyrosine kinase 0.0021 0.0041 0.0034
Brugia malayi topoisomerase 0.002 0.0034 0.0029
Echinococcus granulosus receptor type guanylyl cyclase 0.0017 0.0015 0.0009
Schistosoma mansoni hypothetical protein 0.0075 0.0361 0.0376
Loa Loa (eye worm) hypothetical protein 0.0125 0.0657 0.069
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0303 0.1716 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0017 0.0015 0.0016
Onchocerca volvulus Huntingtin homolog 0.0125 0.0657 0.8027
Brugia malayi Niemann-Pick C1 protein precursor 0.0202 0.1118 0.1169

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-cyp3a4 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) = 0.063095734 uM 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) = 1.995262315 uM 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) = 25.11886432 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
Potency (ADMET) = 0.0631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 1.9953 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) 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.
 
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

No literature references available for this target.

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