Detailed information for compound 349149

Basic information

Technical information
  • TDR Targets ID: 349149
  • Name: 4-[[3-(1-benzhydryl-5-chloro-2-methylindol-3- yl)propanoylamino]methyl]benzoic acid
  • MW: 537.048 | Formula: C33H29ClN2O3
  • H donors: 2 H acceptors: 3 LogP: 6.85 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(NCc1ccc(cc1)C(=O)O)CCc1c(C)n(c2c1cc(Cl)cc2)C(c1ccccc1)c1ccccc1
  • InChi: 1S/C33H29ClN2O3/c1-22-28(17-19-31(37)35-21-23-12-14-26(15-13-23)33(38)39)29-20-27(34)16-18-30(29)36(22)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-16,18,20,32H,17,19,21H2,1H3,(H,35,37)(H,38,39)
  • InChiKey: GZGOCQSUOUYMTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[3-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)propanoylamino]methyl]benzoic acid
  • 4-[[[3-(1-benzhydryl-5-chloro-2-methyl-3-indolyl)-1-oxopropyl]amino]methyl]benzoic acid
  • 4-[[3-[5-chloro-1-[di(phenyl)methyl]-2-methylindol-3-yl]propanoylamino]methyl]benzoic acid
  • 4-[[3-[5-chloro-1-[di(phenyl)methyl]-2-methyl-indol-3-yl]propanoylamino]methyl]benzoic acid
  • 4-[[[3-[5-chloro-1-[di(phenyl)methyl]-2-methyl-3-indolyl]-1-oxopropyl]amino]methyl]benzoic acid

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
Loa Loa (eye worm) glycyl-tRNA synthetase 0.0121 0.331 0.3292
Echinococcus granulosus Seryl tRNA Synthetase 0.0038 0.0919 0.1066
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.042 0.0215
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.3638
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0164 0.4532 0.4517
Onchocerca volvulus 0.0023 0.0502 0.0728
Plasmodium vivax serine--tRNA ligase, putative 0.0038 0.0919 0.107
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.2514
Toxoplasma gondii threonyl-tRNA synthetase family protein 0.0095 0.2557 0.5614
Loa Loa (eye worm) hypothetical protein 0.0028 0.0632 0.0606
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0363 0.0746
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0861 0.1278
Trichomonas vaginalis seryl-tRNA synthetase, putative 0.0038 0.0919 0.1368
Toxoplasma gondii glycyl-tRNA synthetase 0.0095 0.2557 0.5614
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0861 0.1849
Loa Loa (eye worm) hypothetical protein 0.0016 0.0299 0.0272
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0363 0.0401
Mycobacterium leprae Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase) 0.0095 0.2557 0.5614
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0861 0.0516
Plasmodium falciparum histidine--tRNA ligase, putative 0.0057 0.1468 0.1728
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0164 0.4532 0.6231
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0027 0.0038
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0111 0.3025 0.6655
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0363 0.0403
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0363 0.0746
Treponema pallidum threonyl-tRNA synthetase 0.0095 0.2557 0.2276
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.2514
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0363 0.0515
Brugia malayi glycyl-tRNA synthetase 0.0121 0.331 0.3292
Mycobacterium tuberculosis Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase) 0.0095 0.2557 0.3515
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0502 0.1054
Loa Loa (eye worm) hypothetical protein 0.0355 1 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.042 0.0872
Brugia malayi RNA, U transporter 1 0.008 0.2111 0.2089
Echinococcus granulosus Threonyl tRNA synthetase C 0.0095 0.2557 0.3023
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.042 0.047
Toxoplasma gondii serine--tRNA ligase 0.0038 0.0919 0.1979
Loa Loa (eye worm) hypothetical protein 0.0111 0.3025 0.3006
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0502 0.1054
Plasmodium vivax SET domain protein, putative 0.003 0.0676 0.0779
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0095 0.2557 0.5614
Schistosoma mansoni hypothetical protein 0.0299 0.8393 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0861 0.0996
Loa Loa (eye worm) hypothetical protein 0.0018 0.0332 0.0306
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0164 0.4532 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0502 0.1054
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0111 0.3025 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0363 0.0499
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0116 0.3146 0.3728
Wolbachia endosymbiont of Brugia malayi histidyl-tRNA synthetase 0.0057 0.1468 0.1146
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0502 0.0476
Wolbachia endosymbiont of Brugia malayi seryl-tRNA synthetase 0.0038 0.0919 0.0577
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.042 0.0872
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.2514
Brugia malayi Met-10+ like-protein 0.026 0.7273 0.7266
Loa Loa (eye worm) hypothetical protein 0.003 0.0676 0.0651
Trichomonas vaginalis seryl-tRNA synthetase, putative 0.0038 0.0919 0.1368
Loa Loa (eye worm) hypothetical protein 0.0023 0.0502 0.0476
Loa Loa (eye worm) inositol-1 0.0036 0.0861 0.0835
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0064 0.1666 0.5466
Loa Loa (eye worm) hypothetical protein 0.0018 0.0332 0.0306
Loa Loa (eye worm) hypothetical protein 0.0018 0.0332 0.0306
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0111 0.3025 0.6655
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.5731 0.5719
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.8393 0.8389
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0502 0.0476
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0111 0.3025 0.6655
Schistosoma mansoni threonyl-tRNA synthetase 0.0038 0.0919 0.1066
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0861 0.1849
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0038
Plasmodium vivax histidine--tRNA ligase, putative 0.0057 0.1468 0.1728
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0676 0.0776
Mycobacterium ulcerans seryl-tRNA synthetase 0.0038 0.0919 0.0894
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0038
Chlamydia trachomatis serine--tRNA ligase 0.0038 0.0919 0.0607
Leishmania major GTP-binding protein, putative 0.0021 0.042 0.0872
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.042 0.0872
Loa Loa (eye worm) hypothetical protein 0.0023 0.0502 0.0476
Chlamydia trachomatis proline--tRNA ligase 0.0355 1 1
Schistosoma mansoni threonyl-tRNA synthetase 0.0057 0.1468 0.1722
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0363 0.0515
Brugia malayi follicle stimulating hormone receptor 0.0225 0.6292 0.6282
Entamoeba histolytica Ran family GTPase 0.0021 0.042 0.1311
Plasmodium falciparum glycine--tRNA ligase 0.0057 0.1468 0.1728
Leishmania major histidyl-tRNA synthetase, putative 0.0057 0.1468 0.3197
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.4532 0.4517
Toxoplasma gondii tRNA ligase class II core domain (G, H, P, S and T) domain-containing protein 0.0038 0.0919 0.1979
Brugia malayi Importin beta-1 subunit 0.0028 0.0632 0.0606
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.6292 0.6282
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.042 0.0872
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.048 0.0695
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0027 0.0038
Mycobacterium ulcerans histidyl-tRNA synthetase 0.0057 0.1468 0.1444
Schistosoma mansoni ap endonuclease 0.0019 0.0363 0.0401
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0861 0.1849
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.0038 0.0919 0.1368
Mycobacterium ulcerans glycyl-tRNA synthetase 0.0095 0.2557 0.2536
Giardia lamblia Glycyl-tRNA synthetase 0.0095 0.2557 0.8239
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0502 0.0476
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0363 0.0337
Onchocerca volvulus 0.003 0.0676 0.0996
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0164 0.4532 1
Schistosoma mansoni ap endonuclease 0.0019 0.0363 0.0401
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0676 0.0776
Schistosoma mansoni histidyl-tRNA synthetase 0.0057 0.1468 0.1722
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0164 0.4532 1
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0861 0.0996
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0776
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0027 0.0038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0676 0.0776
Schistosoma mansoni inositol monophosphatase 0.0036 0.0861 0.0996
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0753 0.1035
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0064 0.1666 0.1959
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.0753 0.161
Mycobacterium ulcerans threonyl-tRNA synthetase 0.0095 0.2557 0.2536
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0861 0.1849
Treponema pallidum prolyl-tRNA synthetase 0.0355 1 1
Echinococcus multilocularis seryl tRNA synthetase, mitochondrial 0.0038 0.0919 0.1066
Schistosoma mansoni inositol monophosphatase 0.0036 0.0861 0.0996
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.4532 0.4517
Toxoplasma gondii histidyl-tRNA synthetase (HisRS), putative 0.0057 0.1468 0.3197
Schistosoma mansoni dihydroorotate dehydrogenase 0.0164 0.4532 0.5385
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0502 0.1584
Loa Loa (eye worm) histidyl-tRNA synthetase 0.0057 0.1468 0.1444
Trichomonas vaginalis ran, putative 0.0021 0.042 0.0603
Leishmania major threonyl-tRNA synthetase, putative 0.0095 0.2557 0.5614
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0332 0.0306
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0305 0.0419
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0039 0.0941 0.0916
Loa Loa (eye worm) threonyl-tRNA synthetase 0.0095 0.2557 0.2536
Loa Loa (eye worm) hypothetical protein 0.0111 0.3025 0.3006
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0332 0.0366
Entamoeba histolytica glycyl-tRNA synthetase, putative 0.0095 0.2557 0.8437
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0164 0.4532 1
Plasmodium falciparum serine--tRNA ligase, putative 0.0038 0.0919 0.107
Entamoeba histolytica histidyl-tRNA synthetase, putative 0.0057 0.1468 0.4804
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.2514
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0064 0.1666 0.1959
Echinococcus multilocularis histidyl tRNA synthetase 0.0057 0.1468 0.1722
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0038
Toxoplasma gondii seryl-tRNA synthetase, cytoplasmic, putative 0.0038 0.0919 0.1979
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0861 0.2779
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0363 0.0337
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0164 0.4532 0.4326
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0502 0.0476
Schistosoma mansoni seryl-tRNA synthetase 0.0038 0.0919 0.1066
Brugia malayi Inositol-1 0.0036 0.0861 0.0835
Trypanosoma brucei glycyl-tRNA synthetase, putative 0.0095 0.2557 0.5614
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0632 0.0723
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0164 0.4532 0.5405
Echinococcus multilocularis prolyl tRNA synthetase, mitochondrial 0.0298 0.8362 0.9963
Echinococcus granulosus prolyl tRNA synthetase mitochondrial 0.0298 0.8362 0.9963
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0676 0.0776
Echinococcus granulosus snurportin 1 0.0299 0.8393 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0502 0.0476
Chlamydia trachomatis threonine--tRNA ligase 0.0095 0.2557 0.2301
Loa Loa (eye worm) seryl-tRNA synthetase 0.0038 0.0919 0.0894
Plasmodium falciparum importin beta, putative 0.0028 0.0632 0.0726
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0111 0.3025 0.4599
Schistosoma mansoni importin beta-1 0.0028 0.0632 0.0723
Trichomonas vaginalis glycyl-tRNA synthetase, putative 0.0057 0.1468 0.2209
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0027 0.0038
Entamoeba histolytica threonyl-tRNA synthetase, putative 0.0095 0.2557 0.8437
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0111 0.3025 0.6655
Plasmodium vivax proline--tRNA ligase, putative 0.0111 0.3025 0.3597
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0861 0.1849
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0057 0.1468 0.3197
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.048 0.1006
Trypanosoma brucei histidyl-tRNA synthetase 0.0057 0.1468 0.3197
Treponema pallidum seryl-tRNA synthetase 0.0038 0.0919 0.0577
Brugia malayi Zinc finger, C2H2 type family protein 0.0064 0.1666 0.1643
Entamoeba histolytica hypothetical protein 0.0023 0.048 0.1511
Echinococcus granulosus histidyl tRNA synthetase 0.0057 0.1468 0.1722
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0363 0.0401
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0305 0.0419
Wolbachia endosymbiont of Brugia malayi threonyl-tRNA synthetase 0.0095 0.2557 0.2276
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0064 0.1666 0.1959
Echinococcus multilocularis snurportin 1 0.0299 0.8393 1
Trypanosoma brucei seryl-tRNA synthetase 0.0038 0.0919 0.1979
Leishmania major seryl-tRNA synthetase, putative 0.0038 0.0919 0.1979
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0502 0.1054
Brugia malayi Pre-SET motif family protein 0.003 0.0676 0.0651
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0027 0.0038
Loa Loa (eye worm) Sars1 protein 0.0038 0.0919 0.0894
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0776
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0027 0.0038
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0064 0.1666 0.2514
Giardia lamblia Threonyl-tRNA synthetase 0.0095 0.2557 0.8239
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0116 0.3146 0.3728
Brugia malayi threonyl-tRNA synthetase, cytoplasmic 0.0095 0.2557 0.2536
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.048 0.0695
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.042 0.0471
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0502 0.0691
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0332 0.0366
Loa Loa (eye worm) hypothetical protein 0.0018 0.0332 0.0306
Plasmodium falciparum proline--tRNA ligase, putative 0.0298 0.8362 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0116 0.3146 0.3728
Brugia malayi Pre-SET motif family protein 0.0206 0.5731 0.5719
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0027 0.0038
Trypanosoma cruzi histidyl-tRNA synthetase 0.0057 0.1468 0.3197
Chlamydia trachomatis histidine--tRNA ligase 0.0057 0.1468 0.1174
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0632 0.1342
Schistosoma mansoni prolyl-tRNA synthetase 0.0298 0.8362 0.9963
Entamoeba histolytica seryl-tRNA synthetase, putative 0.0038 0.0919 0.2974
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0142 0.3899 0.3882
Trypanosoma brucei threonyl-tRNA synthetase, putative 0.0095 0.2557 0.5614
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0502 0.0476
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0164 0.4532 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0332 0.0306
Plasmodium falciparum serine--tRNA ligase, putative 0.0038 0.0919 0.107
Toxoplasma gondii exonuclease III APE 0.0019 0.0363 0.0746
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0502 0.0476
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0502 0.0476
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0116 0.3146 0.3728
Plasmodium vivax glycine--tRNA ligase, putative 0.0095 0.2557 0.3034
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0676 0.1441
Echinococcus granulosus seryl tRNA synthetase mitochondrial 0.0038 0.0919 0.1066
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0502 0.0476
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.042 0.0394
Trichomonas vaginalis set domain proteins, putative 0.0234 0.6546 1
Trichomonas vaginalis threonyl-tRNA synthetase, putative 0.0095 0.2557 0.388
Plasmodium falciparum proline--tRNA ligase 0.0111 0.3025 0.3597
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0502 0.0691
Wolbachia endosymbiont of Brugia malayi prolyl-tRNA synthetase 0.0355 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0502 0.0476
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0064 0.1666 0.1959
Giardia lamblia Prolyl-tRNA synthetase 0.0111 0.3025 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0502 0.0476
Trichomonas vaginalis interferon-induced, double-stranded RNA-activated protein kinase, putative 0.0057 0.1468 0.2209
Toxoplasma gondii anticodon binding domain-containing protein 0.0057 0.1468 0.3197
Schistosoma mansoni histidyl-tRNA synthetase 0.0057 0.1468 0.1722
Trichomonas vaginalis importin beta-1, putative 0.0023 0.048 0.0695
Plasmodium falciparum dihydroorotate dehydrogenase 0.0164 0.4532 0.5405
Mycobacterium ulcerans hypothetical protein 0.0023 0.0502 0.0476
Brugia malayi Sars1 protein 0.0038 0.0919 0.0894
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0676 0.0776
Echinococcus granulosus glycyl tRNA synthetase 0.0121 0.331 0.3924
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0332 0.0457
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.042 0.047
Plasmodium vivax importin-beta 2, putative 0.0028 0.0632 0.0726
Leishmania major glycyl tRNA synthetase, putative 0.0057 0.1468 0.3197
Schistosoma mansoni seryl-tRNA synthetase 0.0038 0.0919 0.1066
Entamoeba histolytica seryl-tRNA synthetase, putative 0.0038 0.0919 0.2974
Giardia lamblia Seryl-tRNA synthetase 0.0038 0.0919 0.2088
Schistosoma mansoni ran 0.0021 0.042 0.047
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0502 0.1054
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0111 0.3025 0.6655
Plasmodium falciparum threonine--tRNA ligase 0.0095 0.2557 0.3034
Plasmodium vivax threonine--tRNA ligase, putative 0.0095 0.2557 0.3034
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0064 0.1666 0.2514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.042 0.0471
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0027 0.0038
Echinococcus multilocularis glycyl tRNA synthetase 0.0121 0.331 0.3924
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0305 0.0419
Mycobacterium tuberculosis Probable prolyl-tRNA synthetase ProS (proline--tRNA ligase) (PRORS) (global RNA synthesis factor) (proline translase) 0.026 0.7273 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0861 0.0835
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0305 0.0419
Treponema pallidum glycyl-tRNA synthetase 0.0057 0.1468 0.1146
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0111 0.3025 0.6655
Brugia malayi seryl-tRNA synthetase, mitochondrial precursor, putative 0.0038 0.0919 0.0894
Schistosoma mansoni ran 0.0021 0.042 0.047
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0095 0.2557 0.3023
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0355 1 1
Onchocerca volvulus 0.0234 0.6546 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0645 0.0739
Schistosoma mansoni glycyl-tRNA synthetase 0.0121 0.331 0.3924
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0861 0.1278
Plasmodium vivax proline--tRNA ligase, putative 0.0298 0.8362 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.048 0.1006
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0502 0.1584
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0111 0.3025 0.3006
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0363 0.0746
Echinococcus multilocularis Seryl tRNA Synthetase 0.0038 0.0919 0.1066
Plasmodium vivax serine--tRNA ligase, putative 0.0038 0.0919 0.107
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0363 0.0403
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0861 0.1278
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0363 0.0337
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0363 0.0746
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0632 0.1342
Echinococcus granulosus importin subunit beta 1 0.0028 0.0632 0.0723
Leishmania major dihydroorotate dehydrogenase 0.0164 0.4532 1
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0632 0.1342
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0164 0.4532 1
Trypanosoma cruzi glycyl-tRNA synthetase, putative 0.0057 0.1468 0.3197
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.042 0.0394
Trypanosoma cruzi seryl-tRNA synthetase 0.0038 0.0919 0.1979
Trypanosoma cruzi threonyl-tRNA synthetase, putative 0.0095 0.2557 0.5614
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0363 0.112
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0502 0.1584
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0111 0.3025 0.6655

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 30 uM Inhibition of cytosolic phospholipase A2alpha in GLU micelle assay ChEMBL. 16392799
IC50 (binding) = 30 uM Inhibition of cytosolic phospholipase A2alpha in GLU micelle assay ChEMBL. 16392799
IC50 (functional) = 50 uM Inhibition of TXB2 production in Sprague-Dawley rat whole blood ChEMBL. 16392799

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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