Detailed information for compound 1260584

Basic information

Technical information
  • TDR Targets ID: 1260584
  • Name: (1-methylpyrrol-2-yl)-(3-pyridin-4-yl-3,9-dia zaspiro[5.5]undecan-9-yl)methanone
  • MW: 338.447 | Formula: C20H26N4O
  • H donors: 0 H acceptors: 2 LogP: 2.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1cccc1C(=O)N1CCC2(CC1)CCN(CC2)c1ccncc1
  • InChi: 1S/C20H26N4O/c1-22-12-2-3-18(22)19(25)24-15-8-20(9-16-24)6-13-23(14-7-20)17-4-10-21-11-5-17/h2-5,10-12H,6-9,13-16H2,1H3
  • InChiKey: CQNWQFDMXKTACL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-methylpyrrol-2-yl)-[3-(4-pyridyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
  • (1-methyl-2-pyrrolyl)-[3-(4-pyridyl)-3,9-diazaspiro[5.5]undecan-9-yl]methanone
  • NCGC00012111
  • PCOP-722437

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 survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0208 0.0405
Onchocerca volvulus Alhambra homolog 0.0028 0.0397 0.0427
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0404 0.0583
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.2664 0.2508
Leishmania major phosphomannomutase, putative 0.0044 0.098 0.0788
Brugia malayi glucose-6-phosphate dehydrogenase 0.0211 0.6938 0.6873
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0404 0.0404
Schistosoma mansoni jumonji domain containing protein 0.0073 0.2018 0.1937
Trypanosoma brucei phosphomannose isomerase 0.0296 1 1
Leishmania major hypothetical protein, conserved 0.0206 0.677 0.6701
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0211 0.6938 0.6605
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.9627 0.9621
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0296 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.3158 0.3013
Brugia malayi 6-phosphofructokinase 0.0105 0.3158 0.3013
Echinococcus granulosus histone acetyltransferase KAT2B 0.0136 0.4275 0.4178
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.3158 0.2415
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.4499 0.4405
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.007 0.1888 0.1692
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Loa Loa (eye worm) hypothetical protein 0.0068 0.184 0.184
Loa Loa (eye worm) glutathione reductase 0.0046 0.1026 0.1026
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0068 0.1815 0.1618
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0211 0.6938 0.6864
Trypanosoma brucei hypothetical protein, conserved 0.0206 0.677 0.6419
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0676 0.0517
Loa Loa (eye worm) hypothetical protein 0.0043 0.0922 0.0922
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0947 0.0947
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0296 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0947 0.0572
Brugia malayi Bromodomain containing protein 0.0041 0.0838 0.0643
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.4499 0.4382
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.3158 0.3088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.27 0.2575
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0296 1 1
Schistosoma mansoni bromodomain containing protein 0.0065 0.1705 0.162
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0947 0.0572
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3547 0.6901
Trypanosoma cruzi phosphomannomutase, putative 0.0044 0.098 0.0763
Mycobacterium ulcerans hypothetical protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.3529 0.3529
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1008 0.0791
Trichomonas vaginalis phosphomannomutase, putative 0.0044 0.098 0.0763
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0219 0.7226 0.7226
Plasmodium falciparum phd finger protein, putative 0.0028 0.0397 0.0397
Mycobacterium tuberculosis Conserved protein 0.0024 0.0235 0.0458
Echinococcus granulosus phosphomannomutase 0.0044 0.098 0.0826
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0219 0.7226 0.7159
Entamoeba histolytica phosphomannose isomerase, putative 0.0296 1 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0211 0.6938 1
Echinococcus multilocularis peregrin 0.0034 0.0603 0.0442
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.3158 0.2993
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Toxoplasma gondii phosphomannomutase 0.0044 0.098 0.0607
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0208 0.0405
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0676 0.0676
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0296 1 1
Brugia malayi glutathione reductase 0.0046 0.1026 0.0836
Brugia malayi PHD-finger family protein 0.0028 0.0373 0.0169
Loa Loa (eye worm) hypothetical protein 0.0146 0.4631 0.4631
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0397 0.0397
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.016 0.514 1
Schistosoma mansoni kinase 0.0046 0.1052 0.096
Echinococcus granulosus peregrin 0.0034 0.0603 0.0442
Echinococcus multilocularis 6 phosphofructokinase 0.0105 0.3158 0.3042
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0168 0.0067
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0296 1 1
Leishmania major ATP-dependent phosphofructokinase 0.0105 0.3158 0.3013
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.3158 0.2993
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0101 0.0101
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.2664 0.2508
Mycobacterium tuberculosis Probable reductase 0.0104 0.3129 0.6088
Entamoeba histolytica phosphomannomutase, putative 0.0044 0.098 0.0788
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0632 0.0473
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0632 0.0473
Plasmodium vivax phosphomannomutase, putative 0.0044 0.098 0.098
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1026 0.081
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0211 0.6938 0.6886
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.677 0.6692
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0793 0.0637
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.1008 0.0791
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1581 0.1437
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0211 0.6938 0.6907
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2664 0.2487
Mycobacterium ulcerans hypothetical protein 0.0024 0.0235 0.0235
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.2664 0.2589
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.9627 0.9621
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.061 0.045
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0028 0.0404 0.0201
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0208 0.0208
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1581 0.1437
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0024 0.0235 0.0028
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0676 0.0581
Schistosoma mansoni hypothetical protein 0.0164 0.5267 0.5219
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.2664 0.2539
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0208
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Plasmodium falciparum thioredoxin reductase 0.0046 0.1026 0.1026
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.2664 0.5554
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0296 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0397 0.0233
Schistosoma mansoni zinc finger protein 0.0022 0.0188 0.0087
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0208 0.0208
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0208 0.0208
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0211 0.6938 0.6886
Loa Loa (eye worm) hypothetical protein 0.0286 0.9627 0.9627
Mycobacterium ulcerans hypothetical protein 0.0024 0.0235 0.0235
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.3158 0.3158
Loa Loa (eye worm) phosphofructokinase 0.0105 0.3158 0.3158
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0028 0.0404 0.0173
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0219 0.7226 0.7159
Loa Loa (eye worm) hypothetical protein 0.0037 0.0717 0.0717
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0793 0.0637
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0024 0.0235 0.0458
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.3129 0.5923
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.2664 0.2664
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0947 0.0729
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0211 0.6938 0.6938
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0024 0.0235 0.0235
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0122 0.0122
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2664 0.2487
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1026 0.0874
Plasmodium falciparum phosphomannomutase, putative 0.0044 0.098 0.098
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.2664 0.2539
Brugia malayi Bromodomain containing protein 0.0034 0.0603 0.0403
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1475 0.1475
Onchocerca volvulus 0.0058 0.1474 0.2863
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0208 0.0208
Schistosoma mansoni hypothetical protein 0.0058 0.1474 0.1387
Mycobacterium ulcerans 6-phosphofructokinase 0.0105 0.3158 0.3158
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0138 0.4318 0.4318
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3547 0.6901
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0028 0.0404 0.0011
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0947 0.0793
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0219 0.7226 0.7112
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0235 0.0235
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0219 0.7226 1
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.016 0.514 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0028 0.0404 0.0583
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0235 0.0069
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1026 0.1997
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0397 0.0397
Leishmania major hypothetical protein, conserved 0.0166 0.5327 0.5228
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Schistosoma mansoni hypothetical protein 0.0028 0.0397 0.0299
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.2664 0.2508
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0208
Trypanosoma brucei polo-like protein kinase 0.0091 0.2664 0.1867
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.3158 0.2993
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0219 0.7226 0.7159
Loa Loa (eye worm) hypothetical protein 0.0045 0.0989 0.0989
Schistosoma mansoni survival motor neuron protein 0.0058 0.1474 0.1387
Schistosoma mansoni mannose-6-phosphate isomerase 0.0296 1 1
Toxoplasma gondii 6-phosphofructokinase 0.0028 0.0404 0.0008
Toxoplasma gondii phosphofructokinase PFKII 0.0028 0.0404 0.0008
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3547 0.6901
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0138 0.4318 0.4083
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0211 0.6938 1
Echinococcus granulosus mannose 6 phosphate isomerase 0.0296 1 1
Brugia malayi phosphofructokinase 0.0105 0.3158 0.3013
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0741 0.0741
Onchocerca volvulus 0.0146 0.4631 1
Trypanosoma cruzi phosphomannose isomerase, putative 0.0296 1 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0219 0.7226 0.7226
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0404 0.0404
Toxoplasma gondii phosphomannose isomerase type I protein 0.0296 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0397 0.0233
Loa Loa (eye worm) acetyltransferase 0.0143 0.4499 0.4499
Echinococcus multilocularis phosphomannomutase 0.0044 0.098 0.0826
Trypanosoma brucei trypanothione reductase 0.0046 0.1026 0.0051
Echinococcus granulosus geminin 0.0164 0.5267 0.5187
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.3158 0.3013
Plasmodium falciparum glutathione reductase 0.0046 0.1026 0.1026
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0208 0.0208
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0028 0.0404 0.0008
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0676 0.0581
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3547 0.6771
Leishmania major trypanothione reductase 0.0046 0.1026 0.0836
Echinococcus multilocularis geminin 0.0164 0.5267 0.5187
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1474 0.1293
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3129 0.6088
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0741 0.0545
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0296 1 1
Brugia malayi hypothetical protein 0.0286 0.9627 0.9619
Schistosoma mansoni phosphomannomutase 0.0044 0.098 0.0888
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0397 0.0299
Loa Loa (eye worm) hypothetical protein 0.0023 0.0208 0.0208
Loa Loa (eye worm) 6-phosphofructokinase 0.0105 0.3158 0.3158
Schistosoma mansoni 6-phosphofructokinase 0.0105 0.3158 0.3088
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.27 0.2575
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Giardia lamblia Kinase, PLK 0.0091 0.2664 0.332
Loa Loa (eye worm) phosphomannomutase 2 0.0044 0.098 0.098
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3129 0.6088
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0105 0.3158 0.2993
Loa Loa (eye worm) hypothetical protein 0.0048 0.112 0.112
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1026 0.1026
Echinococcus granulosus zinc finger protein 0.0022 0.0188 0.0021
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2664 0.2487
Brugia malayi phosphomannomutase 2 0.0044 0.098 0.0788
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0947 0.0729
Echinococcus granulosus 6 phosphofructokinase 0.0105 0.3158 0.3042
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.0136 0.4245 0.4123
Trichomonas vaginalis phosphofructokinase, putative 0.0105 0.3158 0.2993
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0073 0.2005 0.3901
Trypanosoma cruzi hypothetical protein, conserved 0.0206 0.677 0.6692
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0208 0.0208
Plasmodium vivax glutathione reductase, putative 0.0046 0.1026 0.1026
Plasmodium vivax 6-phosphofructokinase, putative 0.0028 0.0404 0.0404
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0211 0.6938 0.6873
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3129 0.6088
Brugia malayi jmjC domain containing protein 0.0092 0.27 0.2545
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0105 0.3158 0.6145
Brugia malayi Thioredoxin reductase 0.0046 0.1026 0.0836
Onchocerca volvulus Putative phosphomannomutase 0.0044 0.098 0.1746
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.4499 0.4442
Brugia malayi hypothetical protein 0.0146 0.4631 0.4516
Echinococcus multilocularis zinc finger protein 0.0022 0.0188 0.0021
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0028 0.0404 0.0404
Trypanosoma brucei Putative Phosphatase/Protein of unknown function DUF89, putative 0.0166 0.5327 0.482
Brugia malayi MH2 domain containing protein 0.0116 0.3529 0.3392
Trichomonas vaginalis phosphofructokinase, putative 0.0028 0.0404 0.0173
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0105 0.3158 0.4215
Brugia malayi 6-phosphofructokinase 0.0105 0.3158 0.3013
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3129 0.6088
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.3529 0.3529
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0235 0.0069
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0166 0.5327 0.5215
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0208 0.0208
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3129 0.6088
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0105 0.3158 0.5982
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0024 0.0235 0.0235
Trypanosoma cruzi Putative Phosphatase/Protein of unknown function DUF89, putative 0.0166 0.5327 0.5215
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0296 1 1
Leishmania major phosphomannose isomerase 0.0296 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0397 0.0397
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0211 0.6938 0.6938
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1026 0.0874
Brugia malayi Bromodomain containing protein 0.0076 0.2112 0.1944
Toxoplasma gondii thioredoxin reductase 0.0046 0.1026 0.0655
Trypanosoma cruzi phosphomannose isomerase, putative 0.0296 1 1
Entamoeba histolytica phosphofructokinase, putative 0.0105 0.3158 0.3013
Schistosoma mansoni hypothetical protein 0.0164 0.5267 0.5219
Brugia malayi PHD-finger family protein 0.0028 0.0397 0.0193
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0741 0.0504
Brugia malayi jmjC domain containing protein 0.0036 0.0676 0.0478
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1026 0.1026

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-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) = 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) = 25.11886432 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
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (ADMET) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (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.
 
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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