Detailed information for compound 1094119

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 417.252 | Formula: C16H21BrN2O6
  • H donors: 4 H acceptors: 5 LogP: 2.64 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H](NC(=O)NC(c1ccc(c(c1)Br)O)C(=O)O)CC(C)C
  • InChi: 1S/C16H21BrN2O6/c1-8(2)6-11(15(23)25-3)18-16(24)19-13(14(21)22)9-4-5-12(20)10(17)7-9/h4-5,7-8,11,13,20H,6H2,1-3H3,(H,21,22)(H2,18,19,24)/t11-,13?/m0/s1
  • InChiKey: UZKQYFNAHBRNTO-AMGKYWFPSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens folate hydrolase (prostate-specific membrane antigen) 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans similar to transferrin receptor Get druggable targets OG5_128101 All targets in OG5_128101
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Candida albicans hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma mansoni NAALADASE L peptidase (M28 family) Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
Schistosoma japonicum ko:K01301 glutamate carboxypeptidase II [EC3.4.17.21], putative Get druggable targets OG5_128101 All targets in OG5_128101
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128101 All targets in OG5_128101
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 granulosus cathepsin l1 0.0019 0.0008 0.0008
Echinococcus multilocularis L aminoadipate semialdehyde 0.0093 0.0247 0.0247
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0125 0.0353 0.0344
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0053 0.0168
Onchocerca volvulus 0.0037 0.0069 0.0372
Brugia malayi jmjC domain containing protein 0.0106 0.0291 0.1773
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0125 0.0353 0.4044
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0017 0.0017
Echinococcus multilocularis cpg binding protein 0.0103 0.028 0.028
Brugia malayi PXA domain containing protein 0.0021 0.0017 0.0102
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0069 0.1129
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0016 0.0089
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0.0032 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0093 0.0093
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0017 0.0009
Brugia malayi regulator of G-protein signaling rgs-7 0.0021 0.0017 0.0102
Echinococcus granulosus mixed lineage leukemia protein mll 0.0025 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0019 0.0008 0.0049
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0017 0.0102
Plasmodium vivax vivapain-2 0.0019 0.0008 0.0022
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0053 0.0828
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Entamoeba histolytica hypothetical protein 0.0026 0.0032 0.0373
Loa Loa (eye worm) hypothetical protein 0.0145 0.0416 0.2536
Echinococcus granulosus transcription factor Dp 1 0.0042 0.0082 0.0082
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0075 0.0075
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0008 0.0008
Onchocerca volvulus 0.0097 0.0262 0.1553
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0017 0.0017
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0039 0.0121
Leishmania major phosphopantetheinyl transferase-like protein 0.0026 0.0032 0.0373
Plasmodium falciparum phd finger protein, putative 0.0032 0.0053 0.0168
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0017 0.0009
Brugia malayi Pre-SET motif family protein 0.0249 0.075 0.4572
Loa Loa (eye worm) hypothetical protein 0.0152 0.0439 0.2674
Loa Loa (eye worm) runx1 0.0066 0.016 0.0977
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0017 0.0017
Treponema pallidum hypothetical protein 0.0966 0.3062 1
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Loa Loa (eye worm) hypothetical protein 0.0056 0.0128 0.0777
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0039 0.0475
Trichomonas vaginalis set domain proteins, putative 0.0283 0.0859 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0016 0.0008
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0022 0.0019 0.0116
Echinococcus multilocularis cysteine protease 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0167 0.0486 0.2966
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0125 0.0353 0.0344
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0093 0.0084
Schistosoma mansoni microtubule-associated protein tau 0.3119 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0016 0.0095
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0016 0.0118
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0017 0.0017
Echinococcus multilocularis Protein lozenge 0.0066 0.016 0.016
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Giardia lamblia PHD finger protein 15 0.0032 0.0053 0.0585
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0017 0.0009
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0021 0.0017 0.0017
Brugia malayi jmjC domain containing protein 0.0045 0.0093 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Echinococcus multilocularis ubiquitin specific protease 41 0.0125 0.0353 0.0353
Trypanosoma brucei hypothetical protein, conserved 0.0026 0.0032 0.0258
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0177 0.264
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0094 0.0094
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0019 0.0011
Loa Loa (eye worm) hypothetical protein 0.0115 0.032 0.1951
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0353 0.4044
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0039 0.0475
Trypanosoma cruzi cruzipain precursor, putative 0.0071 0.0177 0.264
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0177 0.264
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0017 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0107 0.0293 0.0284
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0016 0.0095
Loa Loa (eye worm) hypothetical protein 0.0169 0.0492 0.3001
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Entamoeba histolytica hypothetical protein 0.0021 0.0017 0.0136
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0125 0.0353 0.2149
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0031 0.0049 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0069 0.0061
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Echinococcus multilocularis transcription factor Dp 1 0.0042 0.0082 0.0082
Trypanosoma cruzi major cysteine proteinase, putative 0.0056 0.0128 0.1874
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0021 0.0017 0.0009
Echinococcus granulosus ubiquitin specific protease 41 0.0125 0.0353 0.0353
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.018 0.2678
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0032 0.01
Brugia malayi MH2 domain containing protein 0.013 0.0367 0.2236
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0125 0.0353 0.4044
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0008 0.0049
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0069 0.0069
Brugia malayi regulator of G-protein signaling egl-10 0.0021 0.0017 0.0102
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Onchocerca volvulus Huntingtin homolog 0.0145 0.0416 0.2499
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0016 0.0118
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0039 0.0361
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0069 0.0061
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.018 0.2678
Onchocerca volvulus 0.0093 0.0247 0.1461
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Echinococcus multilocularis regulator of G protein signaling 0.0021 0.0017 0.0017
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0093 0.0247 0.1503
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0019 0.0008 0.0022
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0053 0.012 0.0733
Echinococcus granulosus GPCR family 2 0.0053 0.012 0.012
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0295 0.3363
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0025 0.003 0.003
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0.0032 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0039 0.0121
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0039 0.0121
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0163 0.0474 0.0474
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0125 0.0353 0.0353
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0053 0.0045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0053 0.012 0.012
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0069 0.0069
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0008 0.0049
Onchocerca volvulus Alhambra homolog 0.0032 0.0053 0.0273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0019 0.0128
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0093 0.0084
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0164 0.1001
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0966 0.3062 1
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0017 0.0009
Leishmania major cathepsin L-like protease 0.0071 0.0177 0.264
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0072 0.018 0.2678
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0217 0.0648 0.0648
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0016 0.0089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0053 0.012 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0069 0.0061
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0008 0.0008
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0016 0.0095
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0072 0.018 0.2591
Loa Loa (eye worm) fibroinase 0.0019 0.0008 0.0049
Onchocerca volvulus 0.0525 0.1639 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Loa Loa (eye worm) hypothetical protein 0.0032 0.0053 0.0321
Brugia malayi Bromodomain containing protein 0.0032 0.0053 0.0321
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0208 0.0617 0.0609
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0069 0.0069
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0217 0.0648 0.3951
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0072 0.018 0.1094
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0093 0.0247 0.0238
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Loa Loa (eye worm) hypothetical protein 0.0525 0.1639 1
Loa Loa (eye worm) PXA domain-containing protein 0.0021 0.0017 0.0102
Echinococcus granulosus L aminoadipate semialdehyde 0.0093 0.0247 0.0247
Entamoeba histolytica serine/threonine protein kinase, putative 0.0217 0.0648 1
Loa Loa (eye worm) hypothetical protein 0.0525 0.1639 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0058 0.0058
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0031 0.0049 0.0049
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0017 0.0102
Entamoeba histolytica hypothetical protein 0.0021 0.0017 0.0136
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0125 0.0353 0.0353
Echinococcus granulosus peregrin 0.0032 0.0053 0.0053
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0072 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0017 0.0009
Loa Loa (eye worm) RGS-3 protein 0.0021 0.0017 0.0102
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0367 0.2236
Schistosoma mansoni DNA polymerase eta 0.0021 0.0016 0.0008
Leishmania major hypothetical protein, conserved 0.0028 0.0039 0.0475
Schistosoma mansoni hypothetical protein 0.0032 0.0053 0.0045
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0053 0.0053
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0106 0.0291 0.0291
Schistosoma mansoni hypothetical protein 0.1385 0.4411 0.4406
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0217 0.0648 0.0648
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0169 0.0492 0.3001
Loa Loa (eye worm) ctsf protein 0.0019 0.0008 0.0049
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0022 0.0019 0.0116
Brugia malayi serine/threonine-protein kinase plk-2 0.0217 0.0648 0.3951
Brugia malayi F/Y-rich N-terminus family protein 0.0042 0.0082 0.0501
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0169 0.0492 0.3001
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0019 0.0008 0.0022
Echinococcus multilocularis dnaJ subfamily B 0.1385 0.4411 0.4411
Trypanosoma cruzi polo-like protein kinase, putative 0.0217 0.0648 1
Trypanosoma brucei polo-like protein kinase 0.0217 0.0648 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0125 0.0353 0.5381
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0016 0.0016
Echinococcus granulosus dnaJ subfamily B 0.1385 0.4411 0.4411
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0966 0.3062 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0016 0.0008
Echinococcus multilocularis microtubule associated protein 2 0.3119 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0016 0.0118
Echinococcus multilocularis Regulator of G protein signaling 20 0.0021 0.0017 0.0017
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0.0032 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Loa Loa (eye worm) cysteine protease 0.0019 0.0008 0.0049
Schistosoma mansoni jumonji domain containing protein 0.0084 0.0221 0.0212
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0966 0.3062 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0016 0.0118
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0016 0.0118
Schistosoma mansoni lozenge 0.0066 0.016 0.0152
Echinococcus granulosus expressed protein 0.0416 0.1288 0.1288
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0069 0.0061
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0021 0.0017 0.0017
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0017 0.0009
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0028 0.0039 0.0234
Loa Loa (eye worm) histone methyltransferase 0.0031 0.0049 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0019 0.0128
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0017 0.0017
Echinococcus multilocularis dna polymerase eta 0.0021 0.0016 0.0016
Brugia malayi PXA domain containing protein 0.0021 0.0017 0.0102
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0017 0.0017
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0016 0.0118
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0021 0.0017 0.0102
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0025 0.003 0.003
Brugia malayi Pre-SET motif family protein 0.0037 0.0069 0.0419
Leishmania major cathepsin L-like protease 0.0071 0.0177 0.264
Leishmania major cathepsin L-like protease 0.0071 0.0177 0.264
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0094 0.0094
Schistosoma mansoni cpg binding protein 0.0103 0.028 0.0271
Brugia malayi latrophilin 2 splice variant baaae 0.0115 0.032 0.1951
Echinococcus granulosus Regulator of G protein signaling 20 0.0021 0.0017 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0017 0.0009
Brugia malayi hypothetical protein 0.0018 0.0007 0.0039
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0037 0.0069 0.0419
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0019 0.0011
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0125 0.0353 0.0353
Brugia malayi Calcitonin receptor-like protein seb-1 0.0169 0.0492 0.3001
Plasmodium vivax SET domain protein, putative 0.0037 0.0069 0.0221
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0017 0.0017
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0025 0.003 0.003
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0093 0.0564
Onchocerca volvulus 0.0283 0.0859 0.5218
Brugia malayi hypothetical protein 0.0021 0.0017 0.0102
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0125 0.0353 0.5381
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0.0032 0.01
Brugia malayi Latrophilin receptor protein 2 0.0053 0.012 0.0733
Toxoplasma gondii histone lysine methyltransferase SET1 0.0186 0.0546 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0249 0.075 0.4572
Giardia lamblia Kinase, PLK 0.0217 0.0648 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0125 0.0353 0.5326
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0022 0.0019 0.0116
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0966 0.3062 1
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0017 0.0017
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0016 0.0095
Schistosoma mansoni hypothetical protein 0.0053 0.012 0.0112
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0367 0.2236
Loa Loa (eye worm) hypothetical protein 0.0125 0.0353 0.2149
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0125 0.0353 0.0353
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0017 0.0017
Brugia malayi hypothetical protein 0.0021 0.0017 0.0102
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0072 0.018 0.1094
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0017 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0017 0.0017
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0036 0.0065 0.0056
Trypanosoma cruzi polo-like protein kinase, putative 0.0217 0.0648 1
Plasmodium vivax vivapain-2 0.0019 0.0008 0.0022
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0053 0.0828
Loa Loa (eye worm) hypothetical protein 0.0093 0.0247 0.1503
Echinococcus granulosus cpg binding protein 0.0103 0.028 0.028
Schistosoma mansoni serine/threonine protein kinase 0.0217 0.0648 0.064
Plasmodium falciparum cysteine proteinase falcipain 3 0.0019 0.0008 0.0022
Trypanosoma cruzi cysteine peptidase, putative 0.0071 0.0177 0.264
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0125 0.0353 0.5381
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0053 0.012 0.012
Echinococcus multilocularis peregrin 0.0032 0.0053 0.0053
Echinococcus granulosus dna polymerase eta 0.0021 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0053 0.012 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Brugia malayi hypothetical protein 0.0525 0.1639 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0065 0.0157 0.233
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0017 0.0009
Brugia malayi PHD-finger family protein 0.0032 0.0053 0.0321
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0.0032 0.0053
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0966 0.3062 1
Echinococcus multilocularis expressed protein 0.0416 0.1288 0.1288
Brugia malayi hypothetical protein 0.0028 0.0039 0.0234
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0053 0.0321
Brugia malayi hypothetical protein 0.0145 0.0416 0.2536
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0019 0.0128
Schistosoma mansoni z-protein (S1r protein) 0.0021 0.0017 0.0009
Loa Loa (eye worm) hypothetical protein 0.0053 0.012 0.0733
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0072 0.018 0.018
Trichomonas vaginalis helicase, putative 0.0022 0.0019 0.0128
Onchocerca volvulus Serine\/threonine kinase homolog 0.0217 0.0648 0.3922
Leishmania major DNA polymerase eta, putative 0.0021 0.0016 0.0118
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0019 0.0011
Onchocerca volvulus Huntingtin homolog 0.0145 0.0416 0.2499
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0125 0.0353 0.5326
Echinococcus multilocularis cysteine protease 0.0019 0.0008 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0217 0.0648 0.7515
Brugia malayi A-kinase anchor protein 10, precursor 0.0021 0.0017 0.0102
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0017 0.0009
Schistosoma mansoni cpg binding protein 0.0097 0.0262 0.0253
Schistosoma mansoni hypothetical protein 0.0053 0.012 0.0112
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0008 0.0008
Leishmania major DNA polymerase kappa, putative 0.0021 0.0016 0.0118
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0072 0.018 0.2678
Loa Loa (eye worm) hypothetical protein 0.0111 0.0305 0.1861
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0039 0.0565
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0017 0.0102
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0008 0.0008
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0072 0.018 0.0171
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0053 0.012 0.012
Loa Loa (eye worm) latrophilin receptor protein 2 0.0053 0.012 0.0733
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0217 0.0648 1
Schistosoma mansoni hypothetical protein 0.0115 0.032 0.0312
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0008 0.0008
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0106 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0145 0.0416 0.2536
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0.0032 0.0053
Trichomonas vaginalis CAMK family protein kinase 0.0107 0.0295 0.3363
Echinococcus multilocularis beta adrenergic receptor kinase 0.0022 0.0019 0.0019
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0008 0.0049
Loa Loa (eye worm) CXXC zinc finger family protein 0.0097 0.0262 0.1594
Brugia malayi Cathepsin L-like precursor 0.0019 0.0008 0.0049
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0.0032 0.0443
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0071 0.0177 0.2553
Schistosoma mansoni cpg binding protein 0.0103 0.028 0.0271
Echinococcus granulosus beta-adrenergic receptor kinase 0.0022 0.0019 0.0019
Brugia malayi CXXC zinc finger family protein 0.0097 0.0262 0.1594
Schistosoma mansoni kinase 0.011 0.0304 0.0296
Loa Loa (eye worm) hypothetical protein 0.0021 0.0017 0.0102
Entamoeba histolytica hypothetical protein 0.0021 0.0017 0.0136
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0.0032 0.0443
Echinococcus multilocularis GPCR, family 2 0.0053 0.012 0.012
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0016 0.0118
Echinococcus granulosus dna polymerase kappa 0.0021 0.0016 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0019 0.0128
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0053 0.0053
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0125 0.0353 0.5381
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0021 0.0017 0.0102
Schistosoma mansoni hypothetical protein 0.0053 0.012 0.0112

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 400 nM Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay ChEMBL. 19897367

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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