Detailed information for compound 433644

Basic information

Technical information
  • TDR Targets ID: 433644
  • Name: (5R)-3-[4-[6-(azetidine-3-carbonyl)pyridin-3- yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1, 3-oxazolidin-2-one
  • MW: 422.412 | Formula: C21H19FN6O3
  • H donors: 1 H acceptors: 5 LogP: 0.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[C@H](CN1c1ccc(c(c1)F)c1ccc(nc1)C(=O)C1CNC1)Cn1nncc1
  • InChi: 1S/C21H19FN6O3/c22-18-7-15(28-12-16(31-21(28)30)11-27-6-5-25-26-27)2-3-17(18)13-1-4-19(24-10-13)20(29)14-8-23-9-14/h1-7,10,14,16,23H,8-9,11-12H2/t16-/m0/s1
  • InChiKey: FVIKSWUXIHTDIL-INIZCTEOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-3-[4-[6-(azetidine-3-carbonyl)-3-pyridyl]-3-fluoro-phenyl]-5-(triazol-1-ylmethyl)oxazolidin-2-one
  • (5R)-3-[4-[6-[3-azetidinyl(oxo)methyl]-3-pyridyl]-3-fluorophenyl]-5-(1-triazolylmethyl)-2-oxazolidinone
  • (5R)-3-[4-[6-(azetidin-3-ylcarbonyl)pyridin-3-yl]-3-fluoro-phenyl]-5-(1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
  • (5R)-3-[4-[6-(3-azetidinyl-oxomethyl)-3-pyridyl]-3-fluorophenyl]-5-(1-triazolylmethyl)-2-oxazolidinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens monoamine oxidase A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH Get druggable targets OG5_130722 All targets in OG5_130722
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi amine oxidase, flavin-containing family protein monoamine oxidase A 527 aa 474 aa 22.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.02 0.2357 0.5304
Onchocerca volvulus 0.0028 0.0183 0.0329
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0009
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0277 0.0314
Mycobacterium ulcerans monoamine oxidase 0.0025 0.0149 0.0323
Leishmania major macrophage migration inhibitory factor-like protein 0.0364 0.4437 1
Schistosoma mansoni topbp1 0.002 0.0082 0.031
Echinococcus multilocularis replication factor c subunit 1 0.002 0.0082 0.0082
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0068 0.0068
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0624 0.0707
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Onchocerca volvulus 0.0025 0.0149 0.0266
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0019 0.0021
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0364 0.4437 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0068 0.0775
Trichomonas vaginalis esterase, putative 0.0035 0.0277 0.0607
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0412 0.0458
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0019 0.0012
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0412 0.1691
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0277 0.1126
Schistosoma mansoni topbp1 0.002 0.0082 0.031
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0082 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0364 0.4437 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0008 0.0009
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0277 0.0617
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0068 0.0135
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0438 0.0971
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0624 0.0699
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0068 0.0775
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0025 0.0149 0.0323
Schistosoma mansoni amine oxidase 0.0025 0.0149 0.059
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0364 0.4437 1
Brugia malayi MH2 domain containing protein 0.0124 0.1397 0.1576
Echinococcus multilocularis muscleblind protein 0.0155 0.1786 0.1786
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0277 0.0607
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0068 0.0775
Loa Loa (eye worm) runx1 0.0054 0.0516 0.0585
Loa Loa (eye worm) hypothetical protein 0.0036 0.0284 0.0322
Echinococcus multilocularis protein dispatched 1 0.0098 0.1067 0.1067
Leishmania major macrophage migration inhibitory factor-like protein 0.0364 0.4437 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0284 0.0322
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0277 0.3484
Trypanosoma brucei unspecified product 0.0019 0.0068 0.0775
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0068 0.025
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0438 0.0971
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0284 0.0684
Schistosoma mansoni DNA ligase IV 0.002 0.0082 0.031
Schistosoma mansoni hypothetical protein 0.0083 0.0875 0.363
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0025 0.0149 0.059
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0364 0.4437 0.5029
Echinococcus granulosus replication factor c subunit 1 0.002 0.0082 0.0093
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0068 0.0077
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0277 0.6253
Brugia malayi amine oxidase, flavin-containing family protein 0.0025 0.0149 0.016
Onchocerca volvulus 0.0035 0.0277 0.0508
Loa Loa (eye worm) hypothetical protein 0.0105 0.1158 0.1313
Brugia malayi hypothetical protein 0.002 0.0082 0.0084
Schistosoma mansoni hypothetical protein 0.0083 0.0875 0.363
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0277 0.0666
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0302 0.0302
Loa Loa (eye worm) beta-lactamase 0.0035 0.0277 0.0314
Brugia malayi hypothetical protein 0.002 0.0082 0.0084
Loa Loa (eye worm) hypothetical protein 0.0711 0.8822 1
Treponema pallidum DNA ligase (lig) 0.002 0.0082 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0277 0.0305
Leishmania major DNA polymerase kappa, putative 0.0019 0.0068 0.0135
Loa Loa (eye worm) hypothetical protein 0.0075 0.078 0.0884
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0256 0.0256
Loa Loa (eye worm) RNA binding protein 0.0063 0.0624 0.0707
Schistosoma mansoni hypothetical protein 0.0034 0.0256 0.1037
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Mycobacterium tuberculosis Conserved protein 0.0035 0.0277 0.0666
Onchocerca volvulus 0.0433 0.5303 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0077
Loa Loa (eye worm) hypothetical protein 0.0048 0.0438 0.0497
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.002 0.0082 0.0167
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.026 0.0622
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0438 0.0987
Schistosoma mansoni lamin 0.0028 0.0183 0.0731
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0008 0.0009
Mycobacterium ulcerans dehydrogenase 0.0025 0.0149 0.0323
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.002 0.0082 0.0167
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Schistosoma mansoni DNA polymerase eta 0.0019 0.0068 0.025
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.078 0.1743
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0068 0.0775
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0438 0.0987
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0155 0.1795 0.2034
Echinococcus multilocularis Niemann Pick C1 protein 0.02 0.2357 0.2357
Echinococcus multilocularis dna polymerase eta 0.0019 0.0068 0.0068
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0277 0.0666
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.4366 1
Onchocerca volvulus 0.0048 0.0438 0.0812
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0183 0.0207
Loa Loa (eye worm) oxidoreductase 0.0014 0.0008 0.0009
Echinococcus multilocularis protein patched 0.0086 0.0914 0.0914
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0284 0.0633
Loa Loa (eye worm) hypothetical protein 0.0433 0.5303 0.6011
Loa Loa (eye worm) hypothetical protein 0.0036 0.0284 0.0322
Brugia malayi beta-lactamase family protein 0.0035 0.0277 0.0305
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Plasmodium falciparum macrophage migration inhibitory factor 0.0364 0.4437 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0277 0.0607
Leishmania major hypothetical protein, conserved 0.0035 0.0277 0.0607
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Loa Loa (eye worm) hypothetical protein 0.0048 0.0438 0.0497
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.002 0.0082 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0082 0.0167
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0624 0.2579
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0302 0.123
Giardia lamblia Replication factor C, subunit 1 0.002 0.0082 0.0033
Loa Loa (eye worm) hypothetical protein 0.0155 0.1786 0.2024
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.078 0.1743
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Mycobacterium ulcerans oxidoreductase 0.0025 0.0149 0.0323
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0068 0.0137
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0438 0.0987
Leishmania major UDP-galactopyranose mutase 0.0025 0.0149 0.0318
Brugia malayi hypothetical protein 0.0075 0.078 0.0875
Mycobacterium ulcerans hypothetical protein 0.0048 0.0438 0.0987
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0438 0.0488
Loa Loa (eye worm) hypothetical protein 0.0028 0.0183 0.0207
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0082 0.0167
Brugia malayi hypothetical protein 0.0025 0.0149 0.016
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0624 0.2579
Brugia malayi hypothetical protein 0.0711 0.8822 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0068 0.0775
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0086 0.0914 0.1036
Mycobacterium ulcerans hypothetical protein 0.0035 0.0277 0.0617
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0082 0.0167
Toxoplasma gondii ABC1 family protein 0.0035 0.0277 0.0607
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0438 0.0987
Echinococcus granulosus lamin 0.0028 0.0183 0.0207
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0412 0.0467
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0277 0.3484
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0149 0.1825
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0025 0.0149 0.0318
Echinococcus multilocularis nibrin 0.002 0.0082 0.0082
Trypanosoma brucei PAB1-binding protein , putative 0.0075 0.078 1
Brugia malayi topoisomerase 0.002 0.0082 0.0084
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0068 0.0148
Schistosoma mansoni hypothetical protein 0.0083 0.0875 0.363
Toxoplasma gondii histone lysine-specific demethylase 0.0025 0.0149 0.0318
Echinococcus multilocularis sterol regulatory element binding protein 0.0086 0.0914 0.0914
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Echinococcus granulosus tar DNA binding protein 0.0063 0.0624 0.0707
Echinococcus multilocularis protoporphyrinogen oxidase 0.0025 0.0149 0.0149
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0277 0.0617
Echinococcus granulosus muscleblind protein 0.0155 0.1786 0.2024
Entamoeba histolytica hypothetical protein 0.0037 0.0302 0.0663
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0438 0.0987
Loa Loa (eye worm) hypothetical protein 0.0048 0.0438 0.0497
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0025 0.0149 0.059
Onchocerca volvulus 0.0145 0.1664 0.3127
Echinococcus multilocularis musashi 0.0028 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0438 0.0971
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0438 0.1065
Loa Loa (eye worm) hypothetical protein 0.0155 0.1786 0.2024
Brugia malayi hypothetical protein 0.0048 0.0443 0.0493
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0068 0.0135
Schistosoma mansoni chromosome transmission fidelity factor 0.002 0.0082 0.031
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0277 0.0607
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0082 0.0959
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0025 0.0149 0.3275
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0183 0.0198
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0302 0.0342
Plasmodium falciparum protoporphyrinogen oxidase 0.0025 0.0149 0.0318
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0438 0.0987
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0438 0.0488
Schistosoma mansoni hypothetical protein 0.0145 0.1664 0.6933
Brugia malayi RNA binding protein 0.0063 0.0624 0.0699
Echinococcus multilocularis lamin 0.0028 0.0183 0.0183
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0149 0.0169
Leishmania major DNA polymerase eta, putative 0.0019 0.0068 0.0135
Loa Loa (eye worm) hypothetical protein 0.02 0.2357 0.2672
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0364 0.4437 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0068 0.0068
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0256 0.029
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0438 0.0971
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Schistosoma mansoni intermediate filament proteins 0.0028 0.0183 0.0731
Echinococcus multilocularis muscleblind protein 1 0.0155 0.1786 0.1786
Echinococcus granulosus expressed conserved protein 0.0188 0.2204 0.2498
Mycobacterium leprae Probable lipase LipE 0.0035 0.0277 0.6253
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0438 0.0488
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Echinococcus granulosus nibrin 0.002 0.0082 0.0093
Leishmania major hypothetical protein, conserved 0.0075 0.078 0.1743
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.078 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0277 0.3484
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0438 0.0971
Mycobacterium tuberculosis Conserved protein 0.0035 0.0277 0.0666
Echinococcus multilocularis 0.0025 0.0149 0.0149
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0068 0.0068
Giardia lamblia Macrophage migration inhibitory factor 0.0364 0.4437 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0025 0.0149 0.0349
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0438 0.0971
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.026 0.0622
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.002 0.0082 0.017
Schistosoma mansoni lamin 0.0028 0.0183 0.0731
Echinococcus granulosus lysine specific histone demethylase 1A 0.0025 0.0149 0.0169
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0438 1
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0149 0.0318
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.078 0.1743
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0364 0.4437 1
Brugia malayi intermediate filament protein 0.0028 0.0183 0.0198
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.002 0.0082 0.0167
Echinococcus multilocularis expressed conserved protein 0.0188 0.2204 0.2204
Echinococcus granulosus Niemann Pick C1 protein 0.02 0.2357 0.2672
Mycobacterium ulcerans lipase LipD 0.0035 0.0277 0.0617
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0277 0.0666
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0284 0.0623
Echinococcus granulosus dna polymerase kappa 0.0019 0.0068 0.0077
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0277 0.0314
Loa Loa (eye worm) hypothetical protein 0.002 0.0082 0.0093
Onchocerca volvulus 0.0035 0.0277 0.0508
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0203 0.2396 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0277 0.0666
Chlamydia trachomatis protoporphyrinogen oxidase 0.0025 0.0149 0.3304
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0025 0.0149 0.0149
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0082 0.0167
Toxoplasma gondii ATPase, AAA family protein 0.002 0.0082 0.0167
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0068 0.025
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0412 0.0467
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0068 0.0135
Trypanosoma cruzi PAB1-binding protein , putative 0.0075 0.078 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0438 0.0987
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0068 0.0135
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0277 0.0607
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0025 0.0149 0.0318
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0624 0.2579
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0068 0.0148
Echinococcus granulosus sterol regulatory element binding protein 0.0086 0.0914 0.1036
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1397 0.1584
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Brugia malayi beta-lactamase 0.0035 0.0277 0.0305
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0149 0.0349
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0145 0.1664 0.1878
Echinococcus multilocularis Niemann Pick C1 protein 0.0285 0.3442 0.3442
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0277 0.0277
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0277 0.0305
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0624 0.0707
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0412 0.1691
Schistosoma mansoni amine oxidase 0.0025 0.0149 0.059
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0412 0.0412
Loa Loa (eye worm) hypothetical protein 0.0025 0.0149 0.0169
Brugia malayi Niemann-Pick C1 protein precursor 0.02 0.2357 0.2665
Echinococcus multilocularis Protein lozenge 0.0054 0.0516 0.0516
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0284 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0068 0.0077
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0438 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Brugia malayi TAR-binding protein 0.0063 0.0624 0.0699
Onchocerca volvulus 0.0035 0.0277 0.0508
Loa Loa (eye worm) hypothetical protein 0.0036 0.0284 0.0322
Entamoeba histolytica hypothetical protein 0.0037 0.0302 0.0663
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0277 0.0666
Brugia malayi hypothetical protein 0.0433 0.5303 0.6007
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0624 0.2579
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0082 0.0167
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.026 0.0622
Echinococcus granulosus Protein patched homolog 1 0.0086 0.0914 0.1036
Brugia malayi DKFZp564C0469 protein 0.002 0.0082 0.0084
Schistosoma mansoni survival motor neuron protein 0.0145 0.1664 0.6933
Schistosoma mansoni hypothetical protein 0.0037 0.0302 0.123
Onchocerca volvulus 0.002 0.0082 0.014
Echinococcus granulosus Niemann Pick C1 protein 0.0285 0.3442 0.3901
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1397 0.1584
Loa Loa (eye worm) hypothetical protein 0.0036 0.0284 0.0322
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.002 0.0082 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0412 0.0412
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0025 0.0149 0.0318
Brugia malayi SWIRM domain containing protein 0.0025 0.0149 0.016
Brugia malayi hypothetical protein 0.0037 0.0302 0.0333
Brugia malayi CHE-14 protein 0.0086 0.0914 0.1028
Loa Loa (eye worm) hypothetical protein 0.0433 0.5303 0.6011
Trypanosoma cruzi hypothetical protein, conserved 0.002 0.0082 0.0959
Plasmodium vivax replication factor C subunit 1, putative 0.002 0.0082 0.0167
Echinococcus granulosus survival motor neuron protein 1 0.0711 0.8822 1
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0008 0.0009
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0183 0.0207
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0277 0.0666
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0277 0.0666
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0149 0.0318
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0277 0.0666
Echinococcus granulosus intermediate filament protein 0.0028 0.0183 0.0207
Trichomonas vaginalis replication factor C large subunit, putative 0.002 0.0082 0.0167
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0155 0.1795 0.2034
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0068 0.0137
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.002 0.0082 0.0084
Schistosoma mansoni hypothetical protein 0.0083 0.0875 0.363
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0277 0.0607
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2689 0.6637
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.078 0.1743
Plasmodium falciparum replication factor C subunit 1, putative 0.002 0.0082 0.0167
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0277 0.0607
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0025 0.0149 0.0318
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0412 0.0467
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0914 0.2046
Trypanosoma cruzi FHA domain containing protein, putative 0.002 0.0082 0.0959
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0086 0.0914 0.1036
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.002 0.0082 0.0167
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0412 0.1691
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0025 0.0149 0.0318
Echinococcus multilocularis survival motor neuron protein 1 0.0711 0.8822 0.8822
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0082 0.0167
Echinococcus multilocularis lamin dm0 0.0028 0.0183 0.0183
Brugia malayi Pax transcription activation domain interacting protein 0.002 0.0082 0.0084
Brugia malayi Muscleblind-like protein 0.0155 0.1786 0.2017
Schistosoma mansoni patched 1 0.0086 0.0914 0.3794
Loa Loa (eye worm) hypothetical protein 0.0014 0.0008 0.0009
Echinococcus granulosus lamin dm0 0.0028 0.0183 0.0207
Brugia malayi Bm-MIF-1, identical 0.0364 0.4437 0.5024
Entamoeba histolytica hypothetical protein 0.0037 0.0302 0.0663
Entamoeba histolytica hypothetical protein 0.0037 0.0302 0.0663
Loa Loa (eye worm) hypothetical protein 0.0027 0.0176 0.02
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.026 0.0622
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.002 0.0082 0.1722
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0068 0.0775
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0082 0.0959
Loa Loa (eye worm) hypothetical protein 0.0035 0.0277 0.0314
Echinococcus granulosus dna polymerase eta 0.0019 0.0068 0.0077
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0359 0.4366 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0008 0.0008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0277 0.1126
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0624 0.2579
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0333 0.4047 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0277 0.0617
Schistosoma mansoni lozenge 0.0054 0.0516 0.2127
Onchocerca volvulus 0.0028 0.0183 0.0329
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.002 0.0082 0.0959
Trypanosoma cruzi UDP-galactopyranose mutase 0.0025 0.0149 0.1825
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0438 0.1065
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0284 0.0623

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.5 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
Ki (binding) = 4.5 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
MIC (functional) = 1 ug ml-1 Antibacterial activity against penicillin-susceptible Streptococcus pneumoniae AP671401 ChEMBL. 17722903
MIC (functional) = 4 ug ml-1 Antibacterial activity against linezolid-resistant Streptococcus pneumoniae ChEMBL. 17722903
MIC (functional) = 8 ug ml-1 Antibacterial activity against methicillin-susceptible Staphylococcus aureus AP601055 ChEMBL. 17722903
MIC (functional) = 16 ug ml-1 Antibacterial activity against Haemophilius influenzae ATCC51907 ChEMBL. 17722903
PPB (ADMET) 0 Protein binding in human plasma ChEMBL. 17722903
Solubility = 200 uM Solubility by nephelometric analysis ChEMBL. 17722903

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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