Detailed information for compound 24522

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.214 | Formula: C16H16IN2O3-
  • H donors: 1 H acceptors: 3 LogP: 2.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCn1c(=O)c2cccc3c2c(c1=O)ccc3O)C.[I-]
  • InChi: 1S/C16H16N2O3.HI/c1-17(2)8-9-18-15(20)11-5-3-4-10-13(19)7-6-12(14(10)11)16(18)21;/h3-7,19H,8-9H2,1-2H3;1H/p-1
  • InChiKey: YXXGBTVPWJKOEH-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Onchocerca volvulus 0.0251 0.0414 0.5007
Brugia malayi hypothetical protein 0.002 0.0005 0.0022
Trypanosoma cruzi cysteine peptidase, putative 0.0203 0.0329 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0022 0.0022
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0145 0.0255
Leishmania major long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0021 0.0264
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0053 0.0063 0.2507
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0074 0.0101 0.0178
Loa Loa (eye worm) aspartyl protease 6 0.002 0.0005 0.0022
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0012 0.0326
Loa Loa (eye worm) aspartic protease BmAsp-1 0.002 0.0005 0.0022
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.01 0.0145 0.0255
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.1585 0.2778 0.2775
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0096
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.002 0.0015
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.01 0.0145 0.0255
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0029 0.0021 0.0016
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0042 0.0038
Onchocerca volvulus 0.0029 0.0021 0.0195
Mycobacterium ulcerans TetR family transcriptional regulator 0.279 0.4916 1
Mycobacterium ulcerans AcrR family transcriptional regulator 0.279 0.4916 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Plasmodium vivax plasmepsin IV, putative 0.002 0.0005 0.0197
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0469
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0094 0.0089
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0053 0.0063 0.2507
Onchocerca volvulus 0.0029 0.0021 0.0195
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0021 0.0015
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0021 0.0015
Trypanosoma cruzi cysteine protease, putative 0.0027 0.0017 0.053
Entamoeba histolytica cysteine proteinase, putative 0.0036 0.0032 0.0661
Onchocerca volvulus 0.0239 0.0392 0.4741
Onchocerca volvulus 0.0029 0.0021 0.0195
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Onchocerca volvulus 0.0036 0.0032 0.0334
Loa Loa (eye worm) hypothetical protein 0.0036 0.0032 0.0149
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0027 0.0017 0.053
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0021 0.0628
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0042 0.0196
Onchocerca volvulus Matrix metalloproteinase homolog 0.0481 0.0822 1
Schistosoma mansoni thyroid hormone receptor 0.0139 0.0215 0.0215
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.0197 0.0192
Schistosoma mansoni hypothetical protein 0.0128 0.0197 0.0197
Entamoeba histolytica cysteine protease, putative 0.0053 0.0063 0.2079
Brugia malayi Matrixin family protein 0.0476 0.0813 0.3779
Brugia malayi beta-lactamase family protein 0.007 0.0094 0.0435
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0094 0.0435
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0145 0.5809
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0094 0.0163
Loa Loa (eye worm) hypothetical protein 0.0264 0.0437 0.2033
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Loa Loa (eye worm) fibroinase 0.0053 0.0063 0.0294
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0264 0.0437 0.0864
Echinococcus granulosus cathepsin L cysteine proteinase 0.0053 0.0063 0.0059
Mycobacterium ulcerans hydrolase 0.0264 0.0437 0.0851
Plasmodium vivax vivapain-2 0.0053 0.0063 0.2654
Leishmania major cathepsin L-like protease 0.0203 0.0329 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0074 0.0101 0.0164
Mycobacterium ulcerans fatty-acid-CoA ligase 0.01 0.0145 0.0255
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0012 0.0326
Schistosoma mansoni hypothetical protein 0.0152 0.0238 0.0238
Mycobacterium ulcerans hypothetical protein 0.007 0.0094 0.0149
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.074 0.1281 0.1277
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0469
Onchocerca volvulus Cathepsin F homolog 0.0053 0.0063 0.0717
Mycobacterium leprae conserved hypothetical protein 0.007 0.0094 0.0149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0022 0.0022
Leishmania major cathepsin L-like protease 0.0203 0.0329 1
Schistosoma mansoni acetyl-CoA synthetase 0.0029 0.0021 0.0021
Trypanosoma cruzi cysteine peptidase, putative 0.0053 0.0063 0.1924
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.014 0.0135
Onchocerca volvulus 0.0053 0.0063 0.0717
Schistosoma mansoni cathepsin F (C01 family) 0.0053 0.0063 0.0063
Echinococcus granulosus expressed conserved protein 0.0091 0.013 0.0125
Plasmodium vivax aspartyl proteinase, putative 0.002 0.0005 0.0197
Entamoeba histolytica hypothetical protein 0.0152 0.0238 1
Mycobacterium ulcerans beta-lactamase 0.007 0.0094 0.0149
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0094 0.2294
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0021 0.0264
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0217 0.0353 0.0353
Brugia malayi Cathepsin L-like cysteine proteinase 0.0036 0.0032 0.0149
Leishmania major cathepsin L-like protease 0.0053 0.0063 0.161
Brugia malayi Hemopexin family protein 0.0259 0.0428 0.1991
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.014 0.0651
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0469
Onchocerca volvulus 0.0217 0.0353 0.4267
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0029 0.0021 0.0015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Echinococcus granulosus cathepsin L cysteine protease 0.0027 0.0017 0.0013
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.01 0.0145 0.0676
Mycobacterium ulcerans lipase LipD 0.007 0.0094 0.0149
Loa Loa (eye worm) hypothetical protein 0.0029 0.0021 0.0096
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0017 0.0162
Echinococcus granulosus cathepsin L 0.0027 0.0017 0.0013
Brugia malayi Pre-SET motif family protein 0.003 0.0022 0.0103
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0152 0.0238 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0042 0.0969
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0152 0.0238 0.0234
Loa Loa (eye worm) hypothetical protein 0.0217 0.0353 0.1643
Echinococcus multilocularis protein dispatched 1 0.0047 0.0053 0.0048
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0042 0.0038
Echinococcus multilocularis cathepsin L cysteine protease 0.0053 0.0063 0.0059
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0053 0.0063 0.0294
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.0238 0.0233
Echinococcus multilocularis expressed conserved protein 0.0091 0.013 0.0125
Mycobacterium tuberculosis Conserved protein 0.007 0.0094 0.0163
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.01 0.0145 0.0269
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Plasmodium vivax SET domain protein, putative 0.003 0.0022 0.0928
Schistosoma mansoni hypothetical protein 0.004 0.004 0.004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.0341 0.1584
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Entamoeba histolytica hypothetical protein 0.0152 0.0238 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.0238 0.1108
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Loa Loa (eye worm) hypothetical protein 0.123 0.2151 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0029 0.0021 0.0096
Brugia malayi Pre-SET motif family protein 0.021 0.0341 0.1584
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0251 0.0414 0.1924
Loa Loa (eye worm) hypothetical protein 0.01 0.0145 0.0676
Leishmania major cathepsin L-like protease 0.0053 0.0063 0.161
Plasmodium vivax vivapain-1 0.0027 0.0017 0.0732
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.0238 0.0233
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0449 0.0766 0.1535
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.01 0.0145 0.0269
Onchocerca volvulus 0.025 0.0413 0.4997
Echinococcus multilocularis thyroid hormone receptor alpha 0.0139 0.0215 0.021
Trypanosoma cruzi major cysteine proteinase, putative 0.016 0.0252 0.7656
Schistosoma mansoni hypothetical protein 0.004 0.004 0.004
Entamoeba histolytica acyl-CoA synthetase, putative 0.01 0.0145 0.5809
Onchocerca volvulus Cathepsin L homolog 0.0053 0.0063 0.0717
Echinococcus granulosus cathepsin l1 0.0053 0.0063 0.0059
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0022 0.0746
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.01 0.0145 0.0255
Onchocerca volvulus 0.01 0.0145 0.1723
Echinococcus granulosus cathepsin l1 0.0036 0.0032 0.0027
Brugia malayi Eukaryotic aspartyl protease family protein 0.002 0.0005 0.0022
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0201 0.0933
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Mycobacterium leprae Probable lipase LipE 0.007 0.0094 0.0149
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Loa Loa (eye worm) cysteine protease 0.0053 0.0063 0.0294
Plasmodium vivax aspartyl protease, putative 0.002 0.0005 0.0197
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0094 0.0163
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0029 0.0021 0.0146
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0022
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 0.0444
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0094 0.2294
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0017 0.0017
Leishmania major hypothetical protein, conserved 0.007 0.0094 0.2568
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0094 0.2294
Schistosoma mansoni patched 1 0.0041 0.0042 0.0042
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0094 0.0163
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Plasmodium vivax acetyl-CoA synthetase, putative 0.0029 0.0021 0.0866
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0042 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Brugia malayi hypothetical protein 0.002 0.0005 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.004 0.004 0.004
Echinococcus granulosus survival motor neuron protein 1 0.123 0.2151 0.2147
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0029 0.0021 0.0015
Schistosoma mansoni hypothetical protein 0.0259 0.0428 0.0428
Schistosoma mansoni cathepsin D (A01 family) 0.002 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0022
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0017 0.0081
Echinococcus multilocularis cysteine protease 0.0053 0.0063 0.0059
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0094 0.0094
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0094 0.2294
Mycobacterium tuberculosis Conserved protein 0.007 0.0094 0.0163
Brugia malayi Probable ClpP-like protease 0.0152 0.0238 0.1108
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0021 0.0412
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.279 0.4916 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0012 0.0057
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.01 0.0145 0.0255
Toxoplasma gondii cathepsin CPL 0.0053 0.0063 0.2507
Brugia malayi Papain family cysteine protease containing protein 0.0053 0.0063 0.0294
Loa Loa (eye worm) oxidoreductase 0.0029 0.0021 0.0096
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0094 0.0163
Brugia malayi Cathepsin L-like precursor 0.0036 0.0032 0.0149
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 1
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0145 0.4208
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Plasmodium vivax plasmepsin V, putative 0.002 0.0005 0.0197
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0469
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0052 0.0062 0.2437
Trypanosoma cruzi cysteine proteinase, putative 0.0027 0.0017 0.053
Loa Loa (eye worm) hypothetical protein 0.0074 0.0101 0.0469
Loa Loa (eye worm) beta-lactamase 0.007 0.0094 0.0435
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Onchocerca volvulus 0.0259 0.0428 0.5183
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0012 0.0374
Plasmodium vivax unspecified product 0.0027 0.0017 0.0732
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0017 0.0162
Brugia malayi cathepsin L-like precursor 0.0036 0.0032 0.0149
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0017 0.0017
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0029 0.0021 0.0015
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.014 0.5558
Trypanosoma cruzi cysteine peptidase, putative 0.0203 0.0329 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.01 0.0145 0.0141
Leishmania major cathepsin L-like protease 0.0053 0.0063 0.161
Echinococcus multilocularis cysteine protease 0.0053 0.0063 0.0059
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0213 0.0209
Mycobacterium ulcerans hypothetical protein 0.01 0.0145 0.0255
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0264 0.0437 0.2033
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0029 0.0021 0.0683
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0053 0.0063 0.0059
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.014 0.0135
Echinococcus granulosus peptidase Clp S14 family 0.01 0.0145 0.0141
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0029 0.0021 0.0683
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Echinococcus granulosus cathepsin l cysteine peptidase 0.0053 0.0063 0.0059
Plasmodium vivax hypothetical protein, conserved 0.007 0.0094 0.3926
Brugia malayi Cathepsin L-like precursor 0.0036 0.0032 0.0149
Echinococcus granulosus cysteine protease 0.0027 0.0017 0.0013
Brugia malayi Matrixin family protein 0.0217 0.0353 0.1643
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0053 0.0063 0.0294
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0094 0.0094
Echinococcus multilocularis microtubule associated protein 2 0.5657 1 1
Entamoeba histolytica hypothetical protein 0.0152 0.0238 1
Echinococcus multilocularis cathepsin L 0.0027 0.0017 0.0013
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0094 0.0163
Onchocerca volvulus 0.007 0.0094 0.1087
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0145 0.0255
Loa Loa (eye worm) hypothetical protein 0.002 0.0005 0.0022
Brugia malayi AMP-binding enzyme family protein 0.01 0.0145 0.0676
Brugia malayi Matrixin family protein 0.0217 0.0353 0.1643
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0012 0.0516
Onchocerca volvulus 0.0053 0.0063 0.0717
Echinococcus multilocularis tumor protein p63 0.1711 0.3003 0.3
Loa Loa (eye worm) hypothetical protein 0.0217 0.0353 0.1643
Onchocerca volvulus 0.0053 0.0063 0.0717
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0029 0.0021 0.0015
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0152 0.0238 1
Schistosoma mansoni cathepsin F (C01 family) 0.0053 0.0063 0.0063
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Brugia malayi CHE-14 protein 0.0041 0.0042 0.0196
Mycobacterium leprae PROBABLE HYDROLASE 0.0264 0.0437 0.0851
Brugia malayi AMP-binding enzyme family protein 0.01 0.0145 0.0676
Loa Loa (eye worm) hypothetical protein 0.0036 0.0032 0.0149
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0145 0.4208
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0053 0.0063 0.1511
Trichomonas vaginalis antibiotic synthetase, putative 0.0029 0.0021 0.0412
Leishmania major cathepsin L-like protease 0.0053 0.0063 0.161
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0053 0.0063 0.0059
Brugia malayi beta-lactamase 0.007 0.0094 0.0435
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0032 0.0705
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0094 0.2568
Brugia malayi MH2 domain containing protein 0.0131 0.0201 0.0933
Entamoeba histolytica cysteine proteinase, putative 0.0053 0.0063 0.2079
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.014 0.0651
Loa Loa (eye worm) matrix metalloproteinase 0.0217 0.0353 0.1643
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.019 0.0307 0.0307
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Onchocerca volvulus 0.0053 0.0063 0.0717
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0021 0.0628
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0053 0.0063 0.1511
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.0238 0.0238
Schistosoma mansoni cathepsin F (C01 family) 0.0036 0.0032 0.0032
Plasmodium vivax acyl-CoA synthetase, putative 0.0074 0.0101 0.423
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0094 0.2294
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0021 0.0264
Loa Loa (eye worm) matrixin family protein 0.0476 0.0813 0.3779
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0094 0.0163
Onchocerca volvulus 0.0053 0.0063 0.0717
Onchocerca volvulus Cathepsin L homolog 0.0053 0.0063 0.0717
Loa Loa (eye worm) hypothetical protein 0.007 0.0094 0.0435
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0029 0.0021 0.0015
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0094 0.0163
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.01 0.0145 0.0255
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0094 0.0163
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0012 0.0326
Loa Loa (eye worm) ctsf protein 0.0053 0.0063 0.0294
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0094 0.2846
Leishmania major 4-coumarate:coa ligase-like protein 0.01 0.0145 0.4208
Onchocerca volvulus 0.007 0.0094 0.1087
Echinococcus multilocularis cathepsin L cysteine protease 0.0053 0.0063 0.0059
Trichomonas vaginalis set domain proteins, putative 0.0239 0.0392 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0042 0.0196
Toxoplasma gondii hypothetical protein 0.0052 0.0062 0.2437
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.007 0.0094 0.0163
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0022 0.0017
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0201 0.0933
Onchocerca volvulus Matrilysin homolog 0.0481 0.0822 1
Schistosoma mansoni cellular tumor antigen P53 0.025 0.0413 0.0413
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.01 0.0145 0.0269
Brugia malayi Papain family cysteine protease containing protein 0.0027 0.0017 0.0081
Toxoplasma gondii propionate-CoA ligase 0.0029 0.0021 0.0683
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0029 0.0021 0.0628
Loa Loa (eye worm) aspartic protease BmAsp-2 0.002 0.0005 0.0022
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0029 0.0021 0.0015
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0094 0.0149
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 0.0444
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0094 0.0163
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 0.5
Schistosoma mansoni memapsin-2 (A01 family) 0.0504 0.0863 0.0863
Echinococcus granulosus tumor protein p63 0.1711 0.3003 0.3
Entamoeba histolytica hypothetical protein 0.0152 0.0238 1
Brugia malayi hypothetical protein 0.0152 0.0238 0.1106
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0027 0.0017 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0017 0.0329
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0094 0.0089
Brugia malayi aspartic protease BmAsp-2, identical 0.002 0.0005 0.0022
Onchocerca volvulus 0.0053 0.0063 0.0717
Schistosoma mansoni peptidase Clp (S14 family) 0.0152 0.0238 0.0238
Plasmodium vivax aspartyl proteinase, putative 0.002 0.0005 0.0197
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0029 0.0021 0.0016
Mycobacterium ulcerans transcriptional regulator 0.279 0.4916 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0022 0.0103
Onchocerca volvulus 0.007 0.0094 0.1087
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0052 0.0062 0.0084
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0094 0.2846
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0029 0.0021 0.0096
Onchocerca volvulus 0.0053 0.0063 0.0717
Brugia malayi hypothetical protein 0.123 0.2151 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.002 0.0005 0.0005
Echinococcus multilocularis protein patched 0.0041 0.0042 0.0038
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Plasmodium falciparum cysteine proteinase falcipain 3 0.0053 0.0063 0.2507
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0052 0.0062 0.2586
Onchocerca volvulus Matrilysin homolog 0.0217 0.0353 0.4267
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0029 0.0021 0.0015
Schistosoma mansoni microtubule-associated protein tau 0.5657 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0185 0.0297 0.905
Toxoplasma gondii ABC1 family protein 0.007 0.0094 0.3804
Brugia malayi aspartic protease BmAsp-1, identical 0.002 0.0005 0.0022
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0094 0.0163
Schistosoma mansoni cathepsin D (A01 family) 0.002 0.0005 0.0005
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0213 0.0209
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0145 0.0255
Entamoeba histolytica acyl-coA synthetase, putative 0.01 0.0145 0.5809
Onchocerca volvulus 0.0029 0.0021 0.0195
Leishmania major acetyl-CoA synthetase, putative 0.0029 0.0021 0.0264
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0022 0.0017
Trichomonas vaginalis esterase, putative 0.007 0.0094 0.2294
Loa Loa (eye worm) hypothetical protein 0.0051 0.0059 0.0273
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0029 0.0021 0.0628
Mycobacterium tuberculosis Conserved protein 0.007 0.0094 0.0163
Trypanosoma cruzi cysteine peptidase, putative 0.0203 0.0329 1
Leishmania major cathepsin L-like protease 0.0203 0.0329 1
Mycobacterium ulcerans acyl-CoA synthetase 0.01 0.0145 0.0255
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.0197 0.0192
Loa Loa (eye worm) matrixin family protein 0.0481 0.0822 0.3821
Schistosoma mansoni thyroid hormone receptor 0.0139 0.0215 0.0215
Plasmodium vivax vivapain-2 0.0053 0.0063 0.2654
Brugia malayi Matrixin family protein 0.0217 0.0353 0.1643
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.074 0.1281 0.1277
Loa Loa (eye worm) hypothetical protein 0.0036 0.0032 0.0149
Brugia malayi AMP-binding enzyme family protein 0.01 0.0145 0.0676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Plasmodium vivax vivapain-3 0.0027 0.0017 0.0732
Schistosoma mansoni hypothetical protein 0.004 0.004 0.004
Leishmania major cathepsin L-like protease 0.0053 0.0063 0.161
Brugia malayi Matrixin family protein 0.0217 0.0353 0.1643
Entamoeba histolytica cysteine proteinase, putative 0.0053 0.0063 0.2079
Loa Loa (eye worm) hypothetical protein 0.025 0.0413 0.192
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0029 0.0021 0.0264
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0063 0.1511
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Trypanosoma cruzi cruzipain precursor, putative 0.0203 0.0329 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0027 0.0017 0.0546
Leishmania major cysteine peptidase A (CPA) 0.0053 0.0063 0.161
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0029 0.0021 0.0683
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Schistosoma mansoni hypothetical protein 0.0251 0.0414 0.0414
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0094 0.0435
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.279 0.4916 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 1
Plasmodium vivax aspartyl protease, putative 0.002 0.0005 0.0197
Brugia malayi hypothetical protein 0.0025 0.0012 0.0057
Loa Loa (eye worm) hypothetical protein 0.0053 0.0063 0.0294
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0152 0.0238 1
Brugia malayi Cathepsin L-like precursor 0.0053 0.0063 0.0294
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0021 0.0096
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0094 0.0149
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0036 0.0032 0.0705
Brugia malayi beta-lactamase family protein 0.007 0.0094 0.0435
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0152 0.0238 0.0444
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0021 0.0015
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0017 0.053
Trypanosoma cruzi cysteine proteinase, putative 0.0027 0.0017 0.053
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0021 0.0015
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0027 0.0017 0.0329
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0012 0.0374
Loa Loa (eye worm) hypothetical protein 0.01 0.0145 0.0676
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0152 0.0238 1
Plasmodium falciparum acyl-CoA synthetase 0.0074 0.0101 0.4114
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.01 0.0145 0.0269
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0152 0.0238 0.0234
Schistosoma mansoni survival motor neuron protein 0.0251 0.0414 0.0414
Echinococcus multilocularis survival motor neuron protein 1 0.123 0.2151 0.2147
Brugia malayi Pepsin A precursor 0.002 0.0005 0.0022
Onchocerca volvulus 0.003 0.0022 0.0213
Plasmodium vivax aspartyl protease, putative 0.002 0.0005 0.0197
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0022 0.0017
Loa Loa (eye worm) hypothetical protein 0.0217 0.0353 0.1643
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0063 0.1511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0203 0.0329 1

Activities

Activity type Activity value Assay description Source Reference
Cytotoxic concentration (functional) 0 M Compound was tested for cytotoxic activity against L1210 leukemia in vitro.; IA means Inactive ChEMBL. 4032424
T/C (functional) = 107 Inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 100 mg/kg upon intraperitoneal administration ChEMBL. 4032424
T/C (functional) = 112 Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 200 mg/kg upon intraperitoneal administration ChEMBL. 4032424
T/C (functional) = 120 Compound was evaluated for inhibitory activity in vivo against P388 leukemia cells in mice at a dose of 400 mg/kg upon intraperitoneal administration ChEMBL. 4032424

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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