Detailed information for compound 278540

Basic information

Technical information
  • TDR Targets ID: 278540
  • Name: (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-car boxylic acid
  • MW: 147.148 | Formula: C6H10FNO2
  • H donors: 2 H acceptors: 2 LogP: -2.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: F[C@H]1C[C@@H](C[C@@H]1N)C(=O)O
  • InChi: 1S/C6H10FNO2/c7-4-1-3(6(9)10)2-5(4)8/h3-5H,1-2,8H2,(H,9,10)/t3-,4-,5-/m0/s1
  • InChiKey: MMLGUKKNNZUWAE-YUPRTTJUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,3S,4S)-3-amino-4-fluoro-cyclopentanecarboxylic acid
  • (1R,3S,4S)-3-amino-4-fluorocyclopentanecarboxylic acid
  • (1R,3S,4S)-3-azanyl-4-fluoro-cyclopentane-1-carboxylic acid
  • (1R,3S,4S)-3-amino-4-fluoro-cyclopentane-1-carboxylic acid
  • (1R,3S,4S)-3-amino-4-fluoro-1-cyclopentanecarboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Sus scrofa Gamma-amino-N-butyrate transaminase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes Get druggable targets OG5_129508 All targets in OG5_129508
Candida albicans one of two potential aminotransferase genes similar to S. cerevisiae UGA1 (YGR019W) gamma-aminobutyrate (GABA) transaminase Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) Get druggable targets OG5_129508 All targets in OG5_129508
Mycobacterium ulcerans L-lysine aminotransferase Get druggable targets OG5_129508 All targets in OG5_129508
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor Get druggable targets OG5_129508 All targets in OG5_129508
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
Echinococcus multilocularis nibrin 0.001 0.0048 0.0036
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0172 0.671
Brugia malayi Pax transcription activation domain interacting protein 0.001 0.0048 0.0101
Echinococcus granulosus replication factor c subunit 1 0.001 0.0048 0.0042
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0159 0.1295
Echinococcus multilocularis lamin 0.0027 0.0261 0.0249
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0034
Echinococcus granulosus Aminotransferase class III 0.0026 0.025 0.0281
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.025 0.0281
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0309 0.3768 0.3761
Schistosoma mansoni topbp1 0.001 0.0048 0.0042
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0051 0.2443
Brugia malayi AMP-binding enzyme family protein 0.0024 0.022 0.0585
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0026 0.025 1
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0048 0.2243
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0032 0.0318 0.0361
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.022 0.0617
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.022 0.8739
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0122 0.0129
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0172 0.056
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0817
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.001 0.0051 0.2443
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0817
Echinococcus multilocularis lamin dm0 0.0027 0.0261 0.0249
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.1149 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0012 0.0034
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.025 0.067
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0012 0.0034
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0545 0.1869
Loa Loa (eye worm) hypothetical protein 0.0052 0.0569 0.1952
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0026 0.025 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0146 0.5612
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.045 0.0439
Echinococcus granulosus lamin dm0 0.0027 0.0261 0.0293
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.1674 0.1664
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.022 0.0585
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0318 0.1075
Schistosoma mansoni ankyrin 23/unc44 0.0032 0.0318 0.0361
Echinococcus multilocularis survival motor neuron protein 1 0.0236 0.2863 0.2855
Loa Loa (eye worm) hypothetical protein 0.0026 0.0254 0.085
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0159 0.0516
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0048 0.0817
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0032 0.0318 0.0307
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0293 0.3567 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0172 0.0188
Loa Loa (eye worm) hypothetical protein 0.0024 0.022 0.073
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0026 0.025 0.067
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0087 0.0089
Echinococcus granulosus expressed conserved protein 0.0092 0.1075 0.1252
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.022 0.183
Echinococcus multilocularis netrin receptor unc 5 0.0032 0.0318 0.0307
Schistosoma mansoni hypothetical protein 0.0041 0.0432 0.0494
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0034
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.025 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.025 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0032 0.032 0.0363
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0172 0.0188
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0159 0.9213
Mycobacterium ulcerans L-lysine aminotransferase 0.0293 0.3567 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.022 0.183
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.001 0.0048 0.0315
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.022 0.0585
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.025 0.0238
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0012 0.0034
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.025 0.067
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0159 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0309 0.3768 0.4426
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.1149 0.3197
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0034
Onchocerca volvulus 0.0049 0.054 1
Schistosoma mansoni hypothetical protein 0.0032 0.0318 0.0361
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.001 0.0048 0.0817
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0134 0.0375
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0051 0.0046
Schistosoma mansoni ap endonuclease 0.0019 0.0159 0.0173
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.025 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0469
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0137
Schistosoma mansoni hypothetical protein 0.0034 0.0349 0.0397
Echinococcus multilocularis Ankyrin 0.0032 0.032 0.0308
Brugia malayi topoisomerase 0.001 0.0048 0.0101
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0134 0.0375
Echinococcus multilocularis protein dispatched 1 0.0048 0.0525 0.0513
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0261 0.0872
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.025 0.067
Schistosoma mansoni hypothetical protein 0.0041 0.0432 0.0494
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0026 0.025 0.543
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.022 0.0617
Echinococcus granulosus survival motor neuron protein 1 0.0236 0.2863 0.336
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0159 0.0446
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.022 0.183
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0817
Trypanosoma cruzi FHA domain containing protein, putative 0.001 0.0048 0.2243
Schistosoma mansoni hypothetical protein 0.0016 0.0122 0.0129
Loa Loa (eye worm) hypothetical protein 0.0027 0.0261 0.0872
Loa Loa (eye worm) hypothetical protein 0.0049 0.054 0.1852
Echinococcus multilocularis Aminotransferase class III 0.0026 0.025 0.0238
Brugia malayi hypothetical protein 0.001 0.0048 0.0101
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0545 0.1499
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.022 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0122 0.011
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0051 0.0286
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.025 0.0701
Brugia malayi AMP-binding enzyme family protein 0.0024 0.022 0.0585
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0159 0.0414
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0146 0.5612
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0122 0.0129
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0172 0.016
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0122 0.0384
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0046 0.1438
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.1149 0.1138
Mycobacterium tuberculosis Probable aminotransferase 0.0026 0.025 0.0701
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0469
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0159 0.3357
Brugia malayi CHE-14 protein 0.0042 0.045 0.1233
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0172 0.3644
Brugia malayi AMP-binding enzyme family protein 0.0024 0.022 0.0585
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0051 0.1639
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0105 0.0326
Echinococcus multilocularis microtubule associated protein 2 0.0689 0.8499 0.8497
Loa Loa (eye worm) hypothetical protein 0.0032 0.032 0.108
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.022 1
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0012 0.0034
Onchocerca volvulus 0.0027 0.0261 0.4708
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0172 0.0449
Echinococcus multilocularis expressed conserved protein 0.0092 0.1075 0.1064
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0159 0.0147
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0469
Schistosoma mansoni hypothetical protein 0.0041 0.0432 0.0494
Schistosoma mansoni patched 1 0.0042 0.045 0.0517
Echinococcus granulosus tumor protein p63 0.0338 0.4123 0.4844
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.025 0.0701
Loa Loa (eye worm) hypothetical protein 0.0024 0.022 0.073
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0087 0.0075
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0172 0.0449
Echinococcus granulosus Ankyrin 0.0032 0.032 0.0363
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.001 0.0046 0.1438
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0172 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.022 0.0585
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.022 0.0585
Mycobacterium ulcerans hypothetical protein 0.0026 0.025 0.067
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0469
Loa Loa (eye worm) hypothetical protein 0.0013 0.0087 0.0264
Loa Loa (eye worm) hypothetical protein 0.0032 0.0318 0.1075
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.022 0.0585
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.022 0.0585
Brugia malayi Protein kinase domain containing protein 0.0032 0.0318 0.0862
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0026 0.025 1
Schistosoma mansoni chromosome transmission fidelity factor 0.001 0.0048 0.0042
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0.0048 0.1505
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.045 0.0517
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0159 0.6182
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.001 0.0048 0.1505
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0134 0.0375
Schistosoma mansoni hypothetical protein 0.0016 0.0122 0.0129
Loa Loa (eye worm) hypothetical protein 0.0013 0.0081 0.0242
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0318 0.0862
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.025 0.067
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.045 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0261 0.0872
Plasmodium vivax replication factor C subunit 1, putative 0.001 0.0048 0.1505
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0.0048 0.0817
Loa Loa (eye worm) hypothetical protein 0.0042 0.045 0.1538
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0172 1
Echinococcus granulosus GPCR family 2 0.0016 0.0122 0.0129
Toxoplasma gondii exonuclease III APE 0.0019 0.0159 0.6182
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0159 0.8985
Loa Loa (eye worm) hypothetical protein 0.0098 0.1149 0.3986
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.025 0.067
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0817
Toxoplasma gondii ATPase, AAA family protein 0.001 0.0048 0.1505
Brugia malayi hypothetical protein 0.0236 0.2863 0.802
Loa Loa (eye worm) hypothetical protein 0.001 0.0051 0.0137
Schistosoma mansoni ap endonuclease 0.0019 0.0159 0.0173
Loa Loa (eye worm) hypothetical protein 0.0016 0.0122 0.0384
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.001 0.0048 0.0101
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0525 0.1442
Entamoeba histolytica recQ family helicase, putative 0.001 0.0046 0.0301
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0146 0.4834
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1168 0.1362
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0159 0.0173
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0172 0.7678
Plasmodium falciparum replication factor C subunit 1, putative 0.001 0.0048 0.1505
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0012 0.0034
Schistosoma mansoni topbp1 0.001 0.0048 0.0042
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.022 0.8739
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.025 0.0701
Schistosoma mansoni DNA helicase recq1 0.002 0.0172 0.0188
Brugia malayi intermediate filament protein 0.0027 0.0261 0.0699
Loa Loa (eye worm) hypothetical protein 0.0024 0.022 0.073
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0051 0.1639
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0012 0.0034
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0048 0.2243
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0159 0.5505
Trichomonas vaginalis conserved hypothetical protein 0.001 0.0048 0.0817
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.025 1
Echinococcus granulosus intermediate filament protein 0.0027 0.0261 0.0293
Echinococcus multilocularis bloom syndrome protein 0.002 0.0172 0.016
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0026 0.025 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.022 0.0585
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0349 0.0948
Echinococcus granulosus bloom syndrome protein 0.002 0.0172 0.0188
Schistosoma mansoni hypothetical protein 0.0048 0.0525 0.0604
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0159 0.9213
Loa Loa (eye worm) hypothetical protein 0.0013 0.0081 0.0242
Echinococcus granulosus lamin 0.0027 0.0261 0.0293
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0172 0.671
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0048 0.0817
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0172 0.016
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Echinococcus granulosus ornithine aminotransferase 0.0026 0.025 0.0281
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0172 0.671
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0.0048 0.0817
Brugia malayi Death domain containing protein 0.0032 0.0318 0.0862
Echinococcus granulosus nibrin 0.001 0.0048 0.0042
Entamoeba histolytica hypothetical protein 0.001 0.0048 0.0315
Schistosoma mansoni hypothetical protein 0.0016 0.0122 0.0129
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0012 0.0034
Echinococcus multilocularis protein patched 0.0042 0.045 0.0439
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.022 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0134 0.0375
Loa Loa (eye worm) hypothetical protein 0.0236 0.2863 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0261 0.0293
Onchocerca volvulus 0.001 0.0048 0.0679
Plasmodium falciparum ornithine aminotransferase 0.0026 0.025 1
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.1674 0.1958
Entamoeba histolytica recQ family DNA helicase 0.001 0.0051 0.0343
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0122 0.0308
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0046 0.004
Echinococcus granulosus death domain containing protein 0.0032 0.0318 0.0361
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0159 0.0414
Schistosoma mansoni lamin 0.0027 0.0261 0.0293
Schistosoma mansoni survival motor neuron protein 0.0048 0.0525 0.0604
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0026 0.025 0.0701
Trypanosoma cruzi hypothetical protein, conserved 0.001 0.0048 0.2243
Schistosoma mansoni lamin 0.0027 0.0261 0.0293
Loa Loa (eye worm) hypothetical protein 0.005 0.0545 0.1869
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.001 0.0048 0.0101
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0012 0.0034
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0159 0.7073
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0172 0.3644
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0172 0.0449
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.045 0.1538
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0159 0.3357
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0146 0.0408
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0122 0.011
Brugia malayi Uncoordinated protein 44 0.0032 0.0318 0.0862
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Loa Loa (eye worm) hypothetical protein 0.001 0.0048 0.0126
Schistosoma mansoni hypothetical protein 0.0016 0.0122 0.0129
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.001 0.0048 0.2243
Echinococcus multilocularis tumor protein p63 0.0338 0.4123 0.4116
Schistosoma mansoni netrin receptor unc5 0.0032 0.0318 0.0361
Loa Loa (eye worm) hypothetical protein 0.002 0.0172 0.056
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0172 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0159 0.9213
Schistosoma mansoni microtubule-associated protein tau 0.0689 0.8499 1
Onchocerca volvulus 0.0048 0.0525 0.9712
Mycobacterium ulcerans hypothetical protein 0.0024 0.022 0.0585
Brugia malayi DKFZp564C0469 protein 0.001 0.0048 0.0101
Brugia malayi hypothetical protein 0.001 0.0048 0.0101
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0105 0.0262
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0172 0.671
Echinococcus granulosus Protein patched homolog 1 0.0042 0.045 0.0517
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0122 0.0308
Onchocerca volvulus 0.0024 0.022 0.3941
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0261 0.0699
Entamoeba histolytica recQ family helicase, putative 0.002 0.0172 0.1405
Onchocerca volvulus 0.0027 0.0261 0.4708
Echinococcus granulosus netrin receptor unc 5 0.0032 0.0318 0.0361
Echinococcus multilocularis musashi 0.0027 0.0261 0.0249
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0469
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.1149 0.1339
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0545 0.1499
Onchocerca volvulus Netrin receptor homolog 0.0032 0.0318 0.5805
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0172 0.3644
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0146 0.0376
Echinococcus multilocularis replication factor c subunit 1 0.001 0.0048 0.0036
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0122 0.011
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.054 0.0622
Loa Loa (eye worm) hypothetical protein 0.0034 0.0349 0.1182
Loa Loa (eye worm) RecQ helicase 0.002 0.0172 0.056
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0159 0.6182
Echinococcus granulosus microtubule associated protein 2 0.0689 0.8499 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0293 0.3567 1
Schistosoma mansoni DNA ligase IV 0.001 0.0048 0.0042
Schistosoma mansoni hypothetical protein 0.0041 0.0432 0.0494
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0172 0.0188
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.025 0.0238

Activities

Activity type Activity value Assay description Source Reference
K inact/Ki (binding) = 0.07 mM-1 min-1 Selectivity ratio of Kinact/KI ChEMBL. 10691696
Ki (binding) = 0.012 mM Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696
Ki (binding) = 0.012 mM Compound was evaluated for the competitive inhibition of of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696
Ki (binding) = 0.43 mM Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696
Ki (binding) = 0.43 mM Compound was evaluated for the kinetic constant for the inhibition of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696
kinact (binding) = 0.03 min-1 Compound was evaluated for the kinetic constant for the inactivation of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696
kinact (binding) = 0.03 min-1 Compound was evaluated for the kinetic constant for the inactivation of Gamma-amino-N-butyrate transaminase ChEMBL. 10691696

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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