Detailed information for compound 256822

Basic information

Technical information
  • TDR Targets ID: 256822
  • Name: N-benzyl-1-(2-fluorophenyl)sulfonylpyrrole-2- carboxamide
  • MW: 358.387 | Formula: C18H15FN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccn1S(=O)(=O)c1ccccc1F)NCc1ccccc1
  • InChi: 1S/C18H15FN2O3S/c19-15-9-4-5-11-17(15)25(23,24)21-12-6-10-16(21)18(22)20-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,20,22)
  • InChiKey: JNLMAPAKDMAOPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-benzyl-1-(2-fluorophenyl)sulfonyl-pyrrole-2-carboxamide
  • N-benzyl-1-(2-fluorophenyl)sulfonyl-2-pyrrolecarboxamide
  • 1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)pyrrole-2-carboxamide
  • 1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)-2-pyrrolecarboxamide
  • N-(benzyl)-1-(2-fluorophenyl)sulfonyl-pyrrole-2-carboxamide
  • 180905-87-7
  • 1-[(2-Fluorophenyl)sulfonyl]-1H-pyrrole-2-[N-(benzyl)carboxamide]
  • 1H-Pyrrole-2-carboxamide, 1-[(2-fluorophenyl)sulfonyl]-N-(phenylmethyl)-
  • AIDS-043501
  • AIDS043501
  • 1-((2-Fluorophenyl)sulfonyl)-1H-pyrrole-2-(N-(benzyl)carboxamide)
  • 1H-Pyrrole-2-carboxamide, 1-((2-fluorophenyl)sulfonyl)-N-(phenylmethyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi PHD-finger family protein 0.0035 0.0068 0.0128
Brugia malayi mbt repeat family protein 0.0053 0.0129 0.0245
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0017 0.0031
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.1635 0.5261 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0086 0.0164
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0169 0.0503 0.5098
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0136 0.0639
Brugia malayi cytochrome P450 0.0046 0.0106 0.0201
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0466 0.1468 0.2791
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0046 0.0106 0.0935
Echinococcus granulosus lamin dm0 0.0028 0.0048 0.0091
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0169 0.0503 0.5098
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0169 0.0503 0.5098
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0005 0.0005
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.0748 0.1421
Mycobacterium ulcerans hypothetical protein 0.0313 0.097 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0129 0.0129
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0094 0.0467
Brugia malayi Fli-1 protein 0.0218 0.0663 0.126
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0017 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0169 0.0503 0.5098
Brugia malayi DOMON domain containing protein 0.0313 0.0971 0.1846
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0046 0.0106 0.0478
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0091 0.0174
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0067 0.0172 0.0328
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0094 0.0467
Giardia lamblia PHD finger protein 15 0.0035 0.0068 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0091 0.0174
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0273 0.0841 0.8639
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0048 0.0091
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0067 0.0172 0.0172
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0017 0.0031
Toxoplasma gondii ABC1 family protein 0.0043 0.0094 0.018
Loa Loa (eye worm) RecQ helicase 0.0022 0.0028 0.0054
Loa Loa (eye worm) hypothetical protein 0.1635 0.5261 1
Schistosoma mansoni peptidylglycine monooxygenase 0.1635 0.5261 0.5261
Onchocerca volvulus Alhambra homolog 0.0035 0.0068 0.0377
Brugia malayi intermediate filament protein 0.0028 0.0048 0.009
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.1635 0.5261 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0046 0.0106 0.0935
Trichomonas vaginalis set domain proteins, putative 0.0531 0.1677 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0129 0.0245
Brugia malayi Uncoordinated protein 44 0.0015 0.0005 0.0009
Echinococcus multilocularis Ankyrin 0.0015 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0035 0.0068 0.0129
Echinococcus granulosus histone lysine methyltransferase setb 0.0067 0.0172 0.0328
Toxoplasma gondii cytochrome p450 superfamily protein 0.1556 0.5004 1
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.004 0.0086 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0211 0.0639 0.1215
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.1635 0.5261 1
Brugia malayi hypothetical protein 0.0265 0.0816 0.1551
Brugia malayi Ets-domain containing protein 0.0072 0.0189 0.0358
Loa Loa (eye worm) DOMON domain-containing protein 0.0313 0.0971 0.1846
Loa Loa (eye worm) hypothetical protein 0.0265 0.0816 0.1551
Loa Loa (eye worm) hypothetical protein 0.1635 0.5261 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0211 0.0639 0.1215
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0046 0.0106 0.0935
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0281 0.0867 0.456
Loa Loa (eye worm) hypothetical protein 0.0028 0.0046 0.0088
Toxoplasma gondii hypothetical protein 0.0096 0.0266 0.0524
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0189 0.0358
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0046 0.0106 0.0935
Echinococcus granulosus peregrin 0.0035 0.0068 0.0129
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0046 0.0106 0.0935
Echinococcus granulosus lamin 0.0028 0.0048 0.0091
Brugia malayi DOMON domain containing protein 0.0313 0.0971 0.1846
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0068 0.0127
Entamoeba histolytica hypothetical protein 0.004 0.0086 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0094 0.0813
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0094 0.0813
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0048 0.009
Loa Loa (eye worm) CYP4Cod1 0.0056 0.0136 0.0258
Brugia malayi Cytochrome P450 family protein 0.0056 0.0136 0.0258
Echinococcus multilocularis 0.0046 0.0106 0.0201
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0005 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0094 0.0467
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0013 0.0013
Loa Loa (eye worm) hypothetical protein 0.0028 0.0048 0.0091
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0017 0.0031
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0028 0.0054
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0084 0.0226 0.1125
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0172 0.0172
Entamoeba histolytica hypothetical protein 0.004 0.0086 1
Plasmodium vivax SET domain protein, putative 0.0067 0.0172 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0005 0.0009
Trypanosoma brucei cytochrome P450, putative 0.0056 0.0136 0.0639
Mycobacterium ulcerans beta-lactamase 0.0043 0.0094 0.0813
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.0207 0.0394
Loa Loa (eye worm) beta-lactamase 0.0043 0.0094 0.0179
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0169 0.0503 0.5098
Brugia malayi DOMON domain containing protein 0.0313 0.0971 0.1846
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0102 0.0286 0.1443
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0046 0.0106 0.0478
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0129 0.0129
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0094 0.0813
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0068 0.0129
Schistosoma mansoni lamin 0.0028 0.0048 0.0048
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.0112 0.0212
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Loa Loa (eye worm) cytochrome P450 0.0046 0.0106 0.0201
Mycobacterium ulcerans oxidoreductase 0.0122 0.0353 0.3524
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0005 0.0009
Brugia malayi Cytochrome P450 family protein 0.0056 0.0136 0.0258
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0094 0.0094
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0226 0.1125
Echinococcus granulosus Ankyrin 0.0015 0.0005 0.001
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0187 0.0356
Echinococcus multilocularis peregrin 0.0035 0.0068 0.0129
Schistosoma mansoni gabp alpha 0.0072 0.0189 0.0188
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0046 0.0106 0.0935
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0094 0.0813
Echinococcus multilocularis dna polymerase eta 0.0019 0.0017 0.0031
Leishmania major mitochondrial DNA polymerase beta 0.0594 0.1882 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0129 0.0245
Echinococcus multilocularis survival motor neuron protein 1 0.0265 0.0816 0.1551
Brugia malayi Ets-domain containing protein 0.0072 0.0189 0.0358
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0068 0.0129
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0129 0.0129
Onchocerca volvulus 0.0043 0.0094 0.0534
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0169 0.0503 0.5098
Onchocerca volvulus 0.0054 0.0131 0.0755
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0017 0.0031
Schistosoma mansoni lamin 0.0028 0.0048 0.0048
Brugia malayi follicle stimulating hormone receptor 0.0244 0.0748 0.1421
Schistosoma mansoni jumonji domain containing protein 0.009 0.0247 0.0247
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0067 0.0172 0.0336
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Leishmania major cytochrome p450-like protein 0.0046 0.0106 0.0478
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0189 0.0358
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0091 0.0091
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0091 0.0174
Mycobacterium tuberculosis Conserved protein 0.0043 0.0094 0.0813
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0169 0.0503 0.5098
Brugia malayi beta-lactamase 0.0043 0.0094 0.0178
Onchocerca volvulus 0.0531 0.1678 1
Schistosoma mansoni peptidyl-glycine monooxygenase 0.1635 0.5261 0.5261
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0169 0.0503 0.5098
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0068 0.0129
Schistosoma mansoni hypothetical protein 0.0035 0.0068 0.0068
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0281 0.0867 0.456
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0153 0.0291
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0129 0.0245
Onchocerca volvulus 0.0028 0.0048 0.0257
Brugia malayi Cytochrome P450 family protein 0.0046 0.0106 0.0201
Echinococcus granulosus dna polymerase kappa 0.0019 0.0017 0.0031
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0017 0.0031
Onchocerca volvulus 0.0043 0.0094 0.0534
Schistosoma mansoni survival motor neuron protein 0.0054 0.0131 0.0131
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0129 0.0743
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0094 0.0467
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0169 0.0503 0.5098
Brugia malayi Protein kinase domain containing protein 0.0015 0.0005 0.0009
Mycobacterium leprae putative cytochrome p450 0.0169 0.0503 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0313 0.097 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0169 0.0503 0.5098
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0086
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0017 0.0016
Echinococcus multilocularis lamin dm0 0.0028 0.0048 0.0091
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0094 0.0179
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0005 0.0005
Loa Loa (eye worm) DOMON domain-containing protein 0.0313 0.0971 0.1846
Onchocerca volvulus 0.0028 0.0048 0.0257
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.1635 0.5261 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0046 0.0106 0.0478
Loa Loa (eye worm) hypothetical protein 0.0061 0.0153 0.0291
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0084 0.0226 0.1125
Loa Loa (eye worm) hypothetical protein 0.0059 0.0148 0.0281
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0091 0.0091
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0094 0.0813
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0113 0.0323 0.0614
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0005 0.0009
Loa Loa (eye worm) fli-1 protein 0.0218 0.0663 0.126
Brugia malayi Death domain containing protein 0.0015 0.0005 0.0009
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0131 0.0249
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0094 0.0813
Brugia malayi jmjC domain containing protein 0.0042 0.0091 0.0173
Brugia malayi hypothetical protein 0.004 0.0086 0.0164
Entamoeba histolytica hypothetical protein 0.004 0.0086 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0169 0.0503 0.5098
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0113 0.0323 0.0614
Brugia malayi Cytochrome P450 family protein 0.0046 0.0106 0.0201
Trypanosoma cruzi cytochrome P450, putative 0.0056 0.0136 0.0639
Echinococcus granulosus dna polymerase eta 0.0019 0.0017 0.0031
Leishmania major cytochrome p450-like protein 0.0056 0.0136 0.0639
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0106 0.0478
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0056 0.0136 0.1249
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0046 0.0106 0.0935
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0094 0.0467
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0018 0.0014 0.0026
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0028 0.0072
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0028 0.0054
Brugia malayi beta-lactamase family protein 0.0043 0.0094 0.0178
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0017 0.0031
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0136 0.0258
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0169 0.0503 0.5098
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0172 0.0172
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0189 0.0358
Echinococcus multilocularis musashi 0.0028 0.0048 0.0091
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0169 0.0503 0.5098
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.0207 0.0394
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0046 0.0106 0.0935
Onchocerca volvulus 0.0053 0.0129 0.0743
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0169 0.0503 0.5098
Schistosoma mansoni hypothetical protein 0.0325 0.101 0.101
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0028 0.0072
Brugia malayi Pre-SET motif family protein 0.0466 0.1468 0.2791
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0094 0.0415
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0129 0.0245
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.083 0.2648 0.5033
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0086 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0172 0.0172
Echinococcus granulosus bloom syndrome protein 0.0022 0.0028 0.0054
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.0106 0.0286
Schistosoma mansoni hypothetical protein 0.0046 0.0106 0.0106
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0169 0.0503 0.5098
Trichomonas vaginalis esterase, putative 0.0043 0.0094 0.0467
Loa Loa (eye worm) DOMON domain-containing protein 0.0313 0.0971 0.1846
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0094 0.0813
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0094 0.5321
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0094 0.0415
Loa Loa (eye worm) MBCTL1 0.0061 0.0153 0.0291
Schistosoma mansoni DNA polymerase eta 0.0019 0.0017 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0046 0.0106 0.0935
Schistosoma mansoni ets-related 0.0218 0.0663 0.0663
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0094 0.0179
Schistosoma mansoni netrin receptor unc5 0.0015 0.0005 0.0005
Leishmania major hypothetical protein, conserved 0.0043 0.0094 0.0415
Schistosoma mansoni hypothetical protein 0.0054 0.0131 0.0131
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0594 0.1882 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0048 0.0048
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0129 0.0245
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0805 0.2568 0.4882
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0046 0.0106 0.0935
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0068 0.0127
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0153 0.0153
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0094 0.0813
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0046 0.0106 0.0478
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0046 0.0106 0.0935
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0009
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0153 0.0291
Echinococcus granulosus survival motor neuron protein 1 0.0265 0.0816 0.1551
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.0136 0.0258
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.001
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0153 0.0291
Mycobacterium tuberculosis Conserved protein 0.0043 0.0094 0.0813
Mycobacterium ulcerans hypothetical protein 0.0043 0.0094 0.0813
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0094 0.0813
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0094 0.0415
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0005 0.0009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0017 0.0031
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0169 0.0503 0.5098
Brugia malayi Bromodomain containing protein 0.0035 0.0068 0.0128
Onchocerca volvulus 0.0313 0.0971 0.5777
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0005 0.0009
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0594 0.1882 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0172 0.0328
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0005 0.0009
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0067 0.0172 0.0328
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0153 0.0291
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0281 0.0867 0.456
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0169 0.0503 0.5098
Echinococcus multilocularis lamin 0.0028 0.0048 0.0091
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0094 0.0179
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0046 0.0106 0.0935
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0594 0.1882 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0068 0.3748
Echinococcus granulosus cytochrome P450 2K1 0.0046 0.0106 0.0201
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0169 0.0503 0.5098
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0169 0.0503 0.5098
Loa Loa (eye worm) hypothetical protein 0.0061 0.0155 0.0294
Schistosoma mansoni cytochrome P450 0.0046 0.0106 0.0106
Echinococcus granulosus death domain containing protein 0.0015 0.0005 0.0009
Onchocerca volvulus 0.0313 0.0971 0.5777
Brugia malayi beta-lactamase family protein 0.0043 0.0094 0.0178
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0153 0.0291
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0169 0.0503 0.5098
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0046 0.0106 0.0935
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0048 0.0091
Leishmania major cytochrome p450-like protein 0.0046 0.0106 0.0478
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0094 0.0094
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0064 0.0164 0.0313
Plasmodium falciparum phd finger protein, putative 0.0035 0.0068 1
Brugia malayi jmjC domain containing protein 0.0113 0.0323 0.0614
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0129 0.0245
Brugia malayi mbt repeat family protein 0.0053 0.0129 0.0245
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0094 0.0813
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.0353 0.3524
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0046 0.0106 0.0935
Echinococcus granulosus jumonji domain containing protein 0.0048 0.0112 0.0212
Brugia malayi Pre-SET motif family protein 0.0067 0.0172 0.0328
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0086 0.0164
Echinococcus granulosus intermediate filament protein 0.0028 0.0048 0.0091
Onchocerca volvulus 0.0067 0.0172 0.1003
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0169 0.0503 0.5098
Mycobacterium ulcerans lipase LipD 0.0043 0.0094 0.0813
Onchocerca volvulus 0.0043 0.0094 0.0534
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0094 0.0178
Loa Loa (eye worm) hypothetical protein 0.0043 0.0094 0.0179
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0084 0.0226 0.1125
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0106 0.0201

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 300 uM Concentration required to reduce the viability of mock-infected MT-4 cells by 50% ChEMBL. 8558522
CC50 (functional) > 300 uM Concentration required to reduce the viability of mock-infected MT-4 cells by 50% ChEMBL. 8558522
EC50 (functional) = 40 uM Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells ChEMBL. 8558522
EC50 (functional) = 40 uM Effective concentration against HIV-1 induced cytopathogenicity in MT-4 cells ChEMBL. 8558522
Ratio (functional) = 7 Selectivity index expressed as the ratio of CC50/ EC50 ChEMBL. 8558522

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

1 literature reference was collected for this gene.

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