Detailed information for compound 1366868

Basic information

Technical information
  • TDR Targets ID: 1366868
  • Name: (2S)-N,N-diethyl-1-phenothiazin-10-ylpropan-2 -amine
  • MW: 312.472 | Formula: C19H24N2S
  • H donors: 0 H acceptors: 0 LogP: 4.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN([C@H](CN1c2ccccc2Sc2c1cccc2)C)CC
  • InChi: 1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3/t15-/m0/s1
  • InChiKey: CDOZDBSBBXSXLB-HNNXBMFYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-N,N-diethyl-1-phenothiazin-10-yl-propan-2-amine
  • (2S)-N,N-diethyl-1-(10-phenothiazinyl)propan-2-amine
  • diethyl-[(1S)-1-methyl-2-phenothiazin-10-yl-ethyl]amine
  • CAS-1094-08-2
  • NCGC00016562-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 Starlite/ChEMBL No references
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 10 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum scully CG7113-PA, putative Get druggable targets OG5_129031 All targets in OG5_129031
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi hypoxia-induced factor 1 Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 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 IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana 3-oxoacyl-(acyl-carrier protein) reductase, 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii aldehyde dehydrogenase 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
Leishmania donovani 3-oxoacyl-(acyl-carrier protein) reductase, putative 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
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis 3-oxoacyl-(acyl-carrier protein) reductase, putative Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Mycobacterium ulcerans 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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Cryptosporidium hominis scully CG7113-PA Get druggable targets OG5_129031 All targets in OG5_129031
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_131074 All targets in OG5_131074
Mycobacterium ulcerans short-chain type dehydrogenase/reductase Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 Get druggable targets OG5_129031 All targets in OG5_129031
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase hydroxysteroid (17-beta) dehydrogenase 10 252 aa 251 aa 24.7 %
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0071 0.1206 0.1469
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0398 0.3089
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 0.255 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0844 0.1213
Loa Loa (eye worm) hypothetical protein 0.0293 0.6181 0.753
Echinococcus granulosus carboxylesterase 5A 0.0327 0.6959 0.9679
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.255 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0411 0.059
Echinococcus multilocularis chromobox protein 1 0.0084 0.1491 0.2074
Plasmodium vivax SET domain protein, putative 0.0036 0.0411 0.3198
Echinococcus multilocularis lipoxygenase domain containing protein 0.0071 0.1206 0.1677
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Leishmania major hypothetical protein, conserved 0.0072 0.1228 0.4763
Echinococcus granulosus acetylcholinesterase 0.0327 0.6959 0.9679
Schistosoma mansoni jumonji domain containing protein 0.0071 0.1197 0.172
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.1262 0.4897
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.072 0.1035
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Echinococcus multilocularis para nitrobenzyl esterase 0.0055 0.0844 0.1174
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0612 0.088
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 0.255 1
Loa Loa (eye worm) beta-lactamase 0.0072 0.1228 0.1496
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.255 0.3107
Onchocerca volvulus 0.0055 0.0844 0.14
Schistosoma mansoni lipoxygenase 0.0276 0.5797 0.8331
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0411 0.3146
Onchocerca volvulus 0.0071 0.1206 0.2
Trypanosoma brucei polo-like protein kinase 0.0097 0.1782 0.6955
Brugia malayi Carboxylesterase family protein 0.0327 0.6959 1
Brugia malayi jmjC domain containing protein 0.0071 0.1197 0.172
Schistosoma mansoni gliotactin 0.0055 0.0844 0.1213
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.255 0.3665
Trichomonas vaginalis esterase, putative 0.0072 0.1228 0.1545
Loa Loa (eye worm) hypothetical protein 0.0047 0.066 0.0804
Loa Loa (eye worm) hypothetical protein 0.0086 0.1534 0.1868
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1491 0.2008
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0026 0.0036
Schistosoma mansoni acetylcholinesterase 0.0055 0.0844 0.1213
Loa Loa (eye worm) hypothetical protein 0.0327 0.6959 0.8476
Echinococcus multilocularis 6 phosphofructokinase 0.0131 0.255 0.3547
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1782 0.256
Echinococcus granulosus chromobox protein 1 0.0084 0.1491 0.2074
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0578 0.0804
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0612 0.0746
Schistosoma mansoni eyes absent homolog 0.0086 0.1534 0.2204
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0612 0.0852
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.255 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0398 0.5
Onchocerca volvulus 0.0072 0.1228 0.2038
Brugia malayi hypothetical protein 0.0197 0.4029 0.5791
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.1197 0.1664
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.255 0.3874
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0612 0.0852
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.0398 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.1206 0.1469
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Mycobacterium ulcerans hypothetical protein 0.0072 0.1228 0.3299
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1197 0.172
Loa Loa (eye worm) carboxylesterase 0.0055 0.0844 0.1028
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0612 0.0852
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.1262 0.1814
Loa Loa (eye worm) hypothetical protein 0.0086 0.1534 0.1868
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.1228 0.3299
Schistosoma mansoni hypothetical protein 0.0169 0.3406 0.4895
Onchocerca volvulus 0.0055 0.0844 0.14
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0026 0.0036
Trichomonas vaginalis chromobox protein, putative 0.0084 0.1491 0.2008
Brugia malayi 6-phosphofructokinase 0.0131 0.255 0.3665
Brugia malayi chromobox protein homolog 3 0.0047 0.066 0.0949
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.1228 0.1709
Loa Loa (eye worm) phosphofructokinase 0.0131 0.255 0.3107
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Onchocerca volvulus 0.0055 0.0844 0.14
Echinococcus granulosus acetylcholinesterase 0.0327 0.6959 0.9679
Brugia malayi beta-lactamase family protein 0.0072 0.1228 0.1765
Brugia malayi hypothetical protein 0.0071 0.1206 0.1733
Plasmodium falciparum LCCL domain-containing protein 0.0071 0.1206 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0026 0.0036
Echinococcus multilocularis carboxylesterase 5A 0.0327 0.6959 0.9679
Brugia malayi jmjC domain containing protein 0.0019 0.0026 0.0038
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5248 0.6393
Echinococcus multilocularis acetylcholinesterase 0.0327 0.6959 0.9679
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.1228 0.3299
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.1053 0.1282
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Onchocerca volvulus 0.0055 0.0844 0.14
Onchocerca volvulus 0.0286 0.6029 1
Onchocerca volvulus 0.0071 0.1206 0.2
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1228 0.1765
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0578 0.083
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.1262 0.1756
Schistosoma mansoni chromobox protein 0.0084 0.1491 0.2143
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1248 0.0442
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.1228 0.042
Brugia malayi beta-lactamase family protein 0.0072 0.1228 0.1765
Brugia malayi Pre-SET motif family protein 0.0251 0.5248 0.7542
Brugia malayi jmjC domain containing protein 0.0019 0.0026 0.0038
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 0.255 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.1782 0.643
Brugia malayi Pre-SET motif family protein 0.0036 0.0411 0.059
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.1782 0.2478
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1228 0.1545
Loa Loa (eye worm) hypothetical protein 0.0036 0.0411 0.05
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0411 0.0571
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1248 0.1736
Echinococcus granulosus BC026374 protein S09 family 0.0055 0.0844 0.1174
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0741 0.0687
Echinococcus multilocularis geminin 0.0169 0.3406 0.4738
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.3686 0.449
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1228 0.1545
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1228 0.1545
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.1197 0.1458
Echinococcus multilocularis tumor protein p63 0.0338 0.7189 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.1782 0.2955
Schistosoma mansoni loxhd1 0.0071 0.1206 0.1733
Echinococcus multilocularis lipoxygenase domain containing protein 0.0071 0.1206 0.1677
Schistosoma mansoni chromobox protein 0.0084 0.1491 0.2143
Brugia malayi Doublecortin family protein 0.0071 0.1206 0.1733
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.0398 0.3089
Brugia malayi jmjC domain containing protein 0.0071 0.1197 0.172
Echinococcus multilocularis RUN 0.0071 0.1206 0.1677
Schistosoma mansoni hypothetical protein 0.0071 0.1206 0.1733
Echinococcus granulosus geminin 0.0169 0.3406 0.4738
Plasmodium vivax multidomain scavenger receptor, putative 0.0071 0.1206 0.9812
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1248 0.34
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0276 0.5797 0.8064
Brugia malayi hypothetical protein 0.0071 0.1206 0.1733
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0612 0.088
Schistosoma mansoni rab6-interacting 0.0071 0.1206 0.1733
Trichomonas vaginalis spcc417.12 protein, putative 0.0055 0.0844 0.0868
Onchocerca volvulus 0.0037 0.0431 0.0716
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0026 0.0038
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.1782 0.6955
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.0398 0.3038
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.1782 0.217
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.1228 0.042
Echinococcus multilocularis Polycystic kidney disease protein 0.0071 0.1206 0.1677
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0612 0.0852
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1248 0.1794
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Onchocerca volvulus 0.005 0.072 0.1195
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0844 0.1213
Schistosoma mansoni polycystin 1-related 0.0071 0.1206 0.1733
Echinococcus multilocularis muscleblind protein 0.0293 0.6181 0.8599
Echinococcus granulosus phd:f box containing protein 0.0019 0.0026 0.0036
Loa Loa (eye worm) hypothetical protein 0.0197 0.4029 0.4908
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.1228 0.042
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1228 0.4763
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1248 0.4842
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0711 0.1022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0032
Echinococcus multilocularis muscleblind protein 1 0.0293 0.6181 0.8599
Onchocerca volvulus 0.0049 0.0711 0.118
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0055 0.0844 0.1213
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Loa Loa (eye worm) hypothetical protein 0.0383 0.8209 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.066 0.1095
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0398 0.3148
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.068 0.058
Mycobacterium ulcerans lipase LipD 0.0072 0.1228 0.3299
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.0398 0.3038
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1228 0.1545
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0026 0.0036
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1248 0.1794
Echinococcus granulosus Polycystic kidney disease protein 0.0071 0.1206 0.1677
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Echinococcus multilocularis chromobox protein 1 0.0084 0.1491 0.2074
Echinococcus granulosus tumor protein p63 0.0338 0.7189 1
Brugia malayi phosphofructokinase 0.0131 0.255 0.3665
Brugia malayi Carboxylesterase family protein 0.0055 0.0844 0.1213
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0026 0.0036
Echinococcus granulosus muscleblind protein 0.0293 0.6181 0.8599
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0741 0.1229
Echinococcus granulosus lipoxygenase domain containing protein 0.0071 0.1206 0.1677
Mycobacterium ulcerans beta-lactamase 0.0072 0.1228 0.3299
Schistosoma mansoni neuroligin 3 (S09 family) 0.0055 0.0844 0.1213
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 0.255 0.1864
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.1782 0.2478
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0026 0.0032
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0055 0.0844 0.1174
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.1228 0.042
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0612 0.088
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0411 0.0571
Echinococcus granulosus neuroligin 0.0055 0.0844 0.1174
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6029 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0026 0.0038
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0026 0.0036
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1782 0.6955
Brugia malayi hypothetical protein 0.0147 0.2904 0.4173
Schistosoma mansoni BC026374 protein (S09 family) 0.0055 0.0844 0.1213
Loa Loa (eye worm) carboxylesterase 0.0327 0.6959 0.8476
Mycobacterium tuberculosis Conserved protein 0.0072 0.1228 0.042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1248 0.34
Loa Loa (eye worm) hypothetical protein 0.0293 0.6181 0.753
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1228 0.4763
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Loa Loa (eye worm) acetylcholinesterase 1 0.0327 0.6959 0.8476
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 0.255 0.3107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0411 0.059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0411 0.059
Brugia malayi hypothetical protein 0.0055 0.0844 0.1213
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.068 0.058
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0055 0.0844 0.0868
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.255 0.3874
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.1262 0.347
Giardia lamblia Kinase, PLK 0.0097 0.1782 1
Toxoplasma gondii ABC1 family protein 0.0072 0.1228 0.9836
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0381 0.053
Echinococcus granulosus RUN 0.0071 0.1206 0.1677
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.1197 0.1664
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0026 0.0032
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0026 0.0038
Mycobacterium ulcerans carboxylesterase, LipT 0.0055 0.0844 0.135
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.1228 0.042
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Echinococcus granulosus chromobox protein 1 0.0084 0.1491 0.2074
Brugia malayi Carboxylesterase family protein 0.0327 0.6959 1
Brugia malayi Heterochromatin protein 1 0.0084 0.1491 0.2143
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.066 0.0545
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1248 0.34
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.1262 0.1756
Onchocerca volvulus 0.0055 0.0844 0.14
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1228 0.1545
Echinococcus multilocularis BC026374 protein (S09 family) 0.0055 0.0844 0.1174
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.1262 0.0457
Brugia malayi beta-lactamase 0.0072 0.1228 0.1765
Brugia malayi 6-phosphofructokinase 0.0131 0.255 0.3665
Echinococcus granulosus lipoxygenase domain containing protein 0.0071 0.1206 0.1677
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.255 0.3874
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.1782 0.256
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.0398 0.3038
Onchocerca volvulus 0.0072 0.1228 0.2038
Brugia malayi Carboxylesterase family protein 0.0055 0.0844 0.1213
Schistosoma mansoni 6-phosphofructokinase 0.0131 0.255 0.3665
Brugia malayi hypothetical protein 0.0086 0.1534 0.2204
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.066 0.0545
Brugia malayi jmjC domain containing protein 0.0019 0.0026 0.0038
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.1228 0.1765
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0741 0.0687
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1248 0.1736
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0921 0.1323
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0276 0.5797 0.8064
Brugia malayi hypoxia-induced factor 1 0.0182 0.3686 0.5298
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.1197 0.172
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.1197 0.1664
Loa Loa (eye worm) hypothetical protein 0.0037 0.0431 0.0526
Onchocerca volvulus 0.0043 0.0578 0.0958
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.1197 0.1664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0612 0.088
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.1228 0.042
Loa Loa (eye worm) hypothetical protein 0.0072 0.1228 0.1496
Echinococcus granulosus single minded 2 0.0043 0.0578 0.0804
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 0.255 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0055 0.0844 0.1174
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0026 0.0038
Brugia malayi Carboxylesterase family protein 0.0055 0.0844 0.1213
Loa Loa (eye worm) hypothetical protein 0.0327 0.6959 0.8476
Brugia malayi Muscleblind-like protein 0.0293 0.6181 0.8883
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.255 1
Echinococcus multilocularis acetylcholinesterase 0.0327 0.6959 0.9679
Brugia malayi PAS domain containing protein 0.0059 0.0921 0.1323
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.1228 0.1496
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1782 0.252
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1228 0.1765
Schistosoma mansoni kinase 0.0049 0.0709 0.1019
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0026 0.0036
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.1262 0.347
Leishmania major ATP-dependent phosphofructokinase 0.0131 0.255 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0327 0.6959 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.0398 0.0082
Loa Loa (eye worm) doublecortin family protein 0.0071 0.1206 0.1469
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.0398 0.3148
Entamoeba histolytica phosphofructokinase, putative 0.0131 0.255 1
Brugia malayi jmjC domain containing protein 0.0019 0.0026 0.0038
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.0398 0.0082
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.1262 0.1814
Echinococcus granulosus para nitrobenzyl esterase 0.0055 0.0844 0.1174
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0026 0.0036
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1782 0.6955
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.1491 0.1817
Echinococcus granulosus 6 phosphofructokinase 0.0131 0.255 0.3547
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.1228 0.4763
Mycobacterium tuberculosis Conserved protein 0.0072 0.1228 0.042
Loa Loa (eye worm) hypothetical protein 0.0049 0.0711 0.0866
Onchocerca volvulus 0.0072 0.1228 0.2038
Plasmodium vivax hypothetical protein, conserved 0.0072 0.1228 1
Schistosoma mansoni single-minded 0.0059 0.0921 0.1323
Loa Loa (eye worm) hypothetical protein 0.0055 0.0844 0.1028
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0026 0.0032
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0026 0.0036
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0411 0.0571
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.1228 0.1709
Schistosoma mansoni lipoxygenase 0.0147 0.2908 0.4179
Schistosoma mansoni rab6-interacting 0.0071 0.1206 0.1733
Loa Loa (eye worm) carboxylesterase 0.0055 0.0844 0.1028
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0032
Schistosoma mansoni hypothetical protein 0.0169 0.3406 0.4895
Brugia malayi Carboxylesterase family protein 0.0055 0.0844 0.1213
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0026 0.0038
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.1228 0.042
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1248 1
Mycobacterium tuberculosis Conserved protein 0.0072 0.1228 0.042
Trichomonas vaginalis phosphofructokinase, putative 0.0131 0.255 0.3874
Echinococcus multilocularis neuroligin 0.0055 0.0844 0.1174

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-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-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-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 0.158489319 uM 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) = 0.501187234 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) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (functional) = 3.9811 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) = 3.9811 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) 6.4241 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 10 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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