Detailed information for compound 28661

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 283.319 | Formula: C13H14FNO3S
  • H donors: 1 H acceptors: 3 LogP: 1.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCCC(=O)N1Cc2ccc(cc2CC1C(=O)O)F
  • InChi: 1S/C13H14FNO3S/c14-10-2-1-8-7-15(12(16)3-4-19)11(13(17)18)6-9(8)5-10/h1-2,5,11,19H,3-4,6-7H2,(H,17,18)
  • InChiKey: OVBUTJNPMYDFJE-UHFFFAOYSA-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
Oryctolagus cuniculus Angiotensin-converting enzyme Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
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
Toxoplasma gondii hypothetical protein 0.2376 0.3985 1
Schistosoma mansoni histone deacetylase 4 5 0.0414 0.0663 0.1946
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.005 0.0047 0.0068
Brugia malayi Peptidase family M13 containing protein 0.028 0.0437 0.0638
Echinococcus multilocularis adam 0.0356 0.0565 0.0565
Mycobacterium tuberculosis Probable reductase 0.0107 0.0143 0.0257
Mycobacterium ulcerans thymidylate synthase 0.0123 0.0171 0.038
Loa Loa (eye worm) matrixin family protein 0.3465 0.583 0.8552
Echinococcus granulosus intermediate filament protein 0.0027 0.0007 0.0001
Brugia malayi Dihydrofolate reductase 0.005 0.0047 0.0066
Chlamydia trachomatis peptide deformylase 0.2376 0.3985 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 0.123 0.1804
Echinococcus multilocularis histone deacetylase 3 0.0351 0.0556 0.0556
Toxoplasma gondii histone deacetylase HDAC2 0.0351 0.0556 0.1386
Entamoeba histolytica aminopeptidase, putative 0.0035 0.0021 0.0261
Toxoplasma gondii histone deacetylase HDAC4 0.0343 0.0543 0.1352
Schistosoma mansoni dihydroceramide desaturase 0.0175 0.0259 0.0761
Onchocerca volvulus 0.2014 0.3372 0.5112
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0059 0.0062 0.0411
Schistosoma mansoni histone deacetylase 4 5 0.0414 0.0663 0.1946
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.1104 0.1832 0.1827
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0007 0.0011
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0141 0.0202 0.0592
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0021 0.0109
Loa Loa (eye worm) hypothetical protein 0.188 0.3145 0.4614
Echinococcus multilocularis histone deacetylase 0.0414 0.0663 0.0663
Loa Loa (eye worm) dihydrofolate reductase 0.005 0.0047 0.0069
Brugia malayi Peptidase family M1 containing protein 0.0035 0.0021 0.0027
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.0163 0.0309
Brugia malayi Peptidase family M1 containing protein 0.0117 0.0161 0.0232
Entamoeba histolytica hypothetical protein 0.0036 0.0022 0.0294
Plasmodium vivax vivapain-2 0.0026 0.0006 0.0005
Loa Loa (eye worm) angiogenesis inhibito 0.0027 0.0008 0.0012
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.0143 0.0257
Loa Loa (eye worm) hypothetical protein 0.0207 0.0313 0.0459
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0174 0.0256 0.1713
Loa Loa (eye worm) hypothetical protein 0.0172 0.0254 0.0372
Echinococcus granulosus histone deacetylase 6 0.0414 0.0663 0.0657
Brugia malayi Matrixin family protein 0.1586 0.2647 0.3881
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0035 0.0021 0.0137
Echinococcus granulosus aminopeptidase N 0.0117 0.0161 0.0155
Onchocerca volvulus 0.0117 0.0161 0.0235
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0019 0.0025
Loa Loa (eye worm) histone deacetylase 0.0414 0.0663 0.0972
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0047 0.0042 0.0124
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.0163 0.0309
Echinococcus granulosus disintegrin and metalloproteinase 0.0175 0.0259 0.0253
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0199 0.03 0.0439
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0021 0.0014
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0041 0.0035
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.176 0.2943 0.8638
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0068 0.0078 0.0228
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.188 0.3145 0.787
Trypanosoma brucei histone deacetylase 1 0.0351 0.0556 0.3696
Plasmodium vivax vivapain-2 0.0026 0.0006 0.0005
Plasmodium vivax histone deacetylase, putative 0.0414 0.0663 0.1654
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.0006 0.0005
Toxoplasma gondii histone deacetylase HDAC3 0.0351 0.0556 0.1386
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0006 0.0042
Leishmania major trypanothione reductase 0.0047 0.0041 0.0248
Schistosoma mansoni cathepsin D (A01 family) 0.014 0.0199 0.0583
Loa Loa (eye worm) hypothetical protein 0.2034 0.3407 0.4998
Loa Loa (eye worm) hypothetical protein 0.0139 0.0197 0.0289
Onchocerca volvulus 0.0027 0.0007 0.0002
Schistosoma mansoni thyroid hormone receptor 0.0135 0.019 0.0558
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0021 0.0109
Plasmodium vivax SET domain protein, putative 0.003 0.0012 0.002
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0006 0.0042
Loa Loa (eye worm) histone deacetylase 7A 0.0414 0.0663 0.0972
Echinococcus multilocularis cysteine protease 0.0026 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0105 0.014 0.0206
Loa Loa (eye worm) hypothetical protein 0.028 0.0437 0.0641
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0035 0.0021 0.006
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 0.019 0.019
Trypanosoma brucei trypanothione reductase 0.0047 0.0041 0.0248
Brugia malayi Hemopexin family protein 0.2014 0.3372 0.4945
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0073 0.0086 0.0252
Mycobacterium ulcerans zinc metalloprotease 0.028 0.0437 0.105
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0006 0.0042
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0056
Entamoeba histolytica hypothetical protein 0.0036 0.0022 0.0294
Schistosoma mansoni thyroid hormone receptor 0.0135 0.019 0.0558
Echinococcus granulosus lamin 0.0027 0.0007 0.0001
Onchocerca volvulus Histone deacetylase 10 homolog 0.0172 0.0254 0.0376
Plasmodium vivax aspartyl proteinase, putative 0.0047 0.0042 0.0095
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0047 0.0042 0.0036
Entamoeba histolytica histone deacetylase, putative 0.0351 0.0556 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0123 0.0171 0.0314
Schistosoma mansoni histone deacetylase 0.0351 0.0556 0.1632
Echinococcus granulosus histone deacetylase 3 0.0351 0.0556 0.055
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0242 0.0371 0.0545
Loa Loa (eye worm) hypothetical protein 0.0351 0.0556 0.0816
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0046 0.0063
Loa Loa (eye worm) hypothetical protein 0.0024 0.0002 0.0003
Giardia lamblia Histone deacetylase 0.0351 0.0556 0.5
Brugia malayi Histone deacetylase 1 0.0351 0.0556 0.0813
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0141 0.0202 0.0592
Echinococcus granulosus histone deacetylase 1 0.0351 0.0556 0.055
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.2376 0.3985 1
Echinococcus multilocularis histone deacetylase 8 0.0172 0.0254 0.0254
Echinococcus granulosus lamin dm0 0.0027 0.0007 0.0001
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0199 0.03 0.0879
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0012 0.0012
Schistosoma mansoni hypothetical protein 0.0125 0.0173 0.0508
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Loa Loa (eye worm) peptidase family M13 containing protein 0.0207 0.0313 0.0459
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.0663 0.4427
Echinococcus multilocularis histone deacetylase 6 0.0432 0.0694 0.0694
Plasmodium falciparum thioredoxin reductase 0.0047 0.0041 0.0093
Echinococcus multilocularis histone deacetylase 7 0.0414 0.0663 0.0663
Onchocerca volvulus Matrilysin homolog 0.1586 0.2647 0.4011
Plasmodium falciparum peptide deformylase 0.2376 0.3985 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.0143 0.0257
Echinococcus granulosus adam 17 protease 0.1936 0.324 0.3236
Echinococcus granulosus dihydrofolate reductase 0.005 0.0047 0.0041
Trypanosoma cruzi cytosolic leucyl aminopeptidase, putative 0.0104 0.0139 0.0928
Brugia malayi thymidylate synthase 0.0123 0.0171 0.0248
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0012 0.0036
Loa Loa (eye worm) hypothetical protein 0.3699 0.6226 0.9132
Loa Loa (eye worm) hypothetical protein 0.1586 0.2647 0.3883
Onchocerca volvulus 0.0035 0.0021 0.0022
Onchocerca volvulus 0.0234 0.0359 0.0536
Schistosoma mansoni cathepsin D (A01 family) 0.014 0.0199 0.0583
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0021 0.0014
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.1104 0.1832 0.1832
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0021 0.0014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0006 0.0009
Toxoplasma gondii thioredoxin reductase 0.0047 0.0041 0.0093
Loa Loa (eye worm) glutathione reductase 0.0047 0.0041 0.0061
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0035 0.0021 0.0021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Trypanosoma brucei Aminopeptidase M1, putative 0.0035 0.0021 0.0109
Entamoeba histolytica hypothetical protein 0.0036 0.0022 0.0294
Chlamydia trachomatis cytosol aminopeptidase 0.0104 0.0139 0.0233
Loa Loa (eye worm) fibroinase 0.0026 0.0006 0.0009
Loa Loa (eye worm) peptidase family M1 containing protein 0.0095 0.0123 0.018
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.2376 0.3985 1
Plasmodium falciparum histone deacetylase, putative 0.0414 0.0663 0.1654
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0012 0.0006
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0006 0.0006
Echinococcus granulosus nuclear receptor co repressor related ncor 0.027 0.042 0.0414
Plasmodium vivax plasmepsin IV, putative 0.0047 0.0042 0.0095
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0356 0.0565 0.166
Trypanosoma cruzi histone deacetylase 1, putative 0.0351 0.0556 0.3714
Mycobacterium ulcerans peptide deformylase 0.2376 0.3985 1
Loa Loa (eye worm) hypothetical protein 0.0306 0.048 0.0705
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0006 0.0018
Trypanosoma cruzi histone deacetylase, putative 0.0172 0.0254 0.1695
Schistosoma mansoni hypothetical protein 0.0036 0.0022 0.0066
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Brugia malayi Pre-SET motif family protein 0.0206 0.0311 0.0453
Trypanosoma cruzi metallo-peptidase, Clan MF, Family M17, putative 0.0104 0.0139 0.0928
Loa Loa (eye worm) hypothetical protein 0.0047 0.0042 0.0062
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0012 0.0036
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0068 0.0078 0.0228
Plasmodium vivax histone deacetylase 1, putative 0.0351 0.0556 0.1386
Brugia malayi dihydrofolate reductase family protein 0.005 0.0047 0.0066
Loa Loa (eye worm) reprolysin 0.0199 0.03 0.0439
Brugia malayi Pax transcription factor protein 2 0.0238 0.0365 0.0533
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0006 0.0006
Brugia malayi Matrixin family protein 0.4048 0.6817 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0035 0.0021 0.006
Echinococcus multilocularis expressed protein 0.0369 0.0588 0.0588
Echinococcus granulosus adam 0.0356 0.0565 0.056
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0006 0.0006
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0035 0.0021 0.0014
Echinococcus granulosus histone deacetylase 6 0.0414 0.0663 0.0657
Brugia malayi Histone deacetylase family protein 0.0414 0.0663 0.0969
Trypanosoma cruzi aminopeptidase, putative 0.0035 0.0021 0.0137
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0068 0.0078 0.0228
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Mycobacterium ulcerans hydrolase 0.188 0.3145 0.7881
Trypanosoma cruzi cruzipain precursor, putative 0.0026 0.0006 0.0042
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0021 0.0021
Plasmodium falciparum histone deacetylase 1 0.0351 0.0556 0.1386
Trypanosoma cruzi Peptide deformylase 2, putative 0.0907 0.1497 1
Brugia malayi Matrixin family protein 0.1586 0.2647 0.3881
Loa Loa (eye worm) hypothetical protein 0.0171 0.0251 0.0368
Loa Loa (eye worm) hypothetical protein 0.0049 0.0046 0.0067
Echinococcus multilocularis musashi 0.0027 0.0007 0.0007
Brugia malayi intermediate filament protein 0.0027 0.0007 0.0007
Echinococcus granulosus expressed protein 0.0369 0.0588 0.0582
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0104 0.0139 0.0233
Onchocerca volvulus Matrix metalloproteinase homolog 0.3465 0.583 0.8846
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0006 0.0006
Echinococcus multilocularis aminopeptidase N 0.0117 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0141 0.0202 0.0592
Echinococcus multilocularis endothelin converting enzyme 1 0.028 0.0437 0.0437
Echinococcus granulosus geminin 0.0168 0.0246 0.024
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0905 0.1494 0.4385
Schistosoma mansoni hypothetical protein 0.0168 0.0246 0.0722
Trypanosoma brucei histone deacetylase, putative 0.0414 0.0663 0.4411
Brugia malayi Pre-SET motif family protein 0.003 0.0012 0.0014
Echinococcus granulosus histone deacetylase 7 0.0414 0.0663 0.0657
Schistosoma mansoni neprilysin-2 (M13 family) 0.0141 0.0202 0.0592
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0907 0.1497 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0035 0.0021 0.0137
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Schistosoma mansoni hypothetical protein 0.2014 0.3372 0.9897
Onchocerca volvulus 0.0027 0.0007 0.0002
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0141 0.0202 0.0592
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Brugia malayi ADAMTS-like protease 0.0184 0.0274 0.0399
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.0143 0.0257
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0041 0.0276
Treponema pallidum polypeptide deformylase (def) 0.2376 0.3985 0.5
Echinococcus multilocularis adam 17 protease 0.176 0.2943 0.2943
Loa Loa (eye worm) hypothetical protein 0.0207 0.0313 0.0459
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.0163 0.0309
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0174 0.0256 0.1689
Leishmania major histone deacetylase, putative 0.0414 0.0663 0.4411
Echinococcus multilocularis dihydrofolate reductase 0.005 0.0047 0.0047
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0.0556 1
Mycobacterium leprae PROBABLE HYDROLASE 0.188 0.3145 0.7867
Brugia malayi peptidase family M13 containing protein 0.0068 0.0078 0.0111
Leishmania major histone deacetylase, putative 0.0414 0.0663 0.4411
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0035 0.0021 0.0109
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0831 0.137 0.2006
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0035 0.0021 0.0261
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Loa Loa (eye worm) hypothetical protein 0.003 0.0012 0.0018
Echinococcus multilocularis lamin dm0 0.0027 0.0007 0.0007
Loa Loa (eye worm) metalloprotease 0.0024 0.0002 0.0003
Echinococcus granulosus thymidylate synthase 0.0123 0.0171 0.0165
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0174 0.0256 0.0633
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0.0556 1
Echinococcus granulosus histone deacetylase 8 0.0172 0.0254 0.0248
Mycobacterium tuberculosis Hypothetical protein 0.0059 0.0062 0.0051
Loa Loa (eye worm) hypothetical protein 0.0083 0.0102 0.015
Echinococcus multilocularis lamin 0.0027 0.0007 0.0007
Entamoeba histolytica hypothetical protein 0.0036 0.0022 0.0294
Mycobacterium leprae probable zinc metalloprotease 0.028 0.0437 0.0989
Loa Loa (eye worm) pax transcription factor protein 2 0.0238 0.0365 0.0536
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Brugia malayi Disintegrin family protein 0.0175 0.0259 0.0377
Brugia malayi hypothetical protein 0.0059 0.0062 0.0087
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0947 0.1566 0.4597
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.0143 0.0242
Schistosoma mansoni endothelin-converting enzyme-related 0.0068 0.0078 0.0228
Schistosoma mansoni histone deacetylase hda2 0.0172 0.0254 0.0745
Brugia malayi hypothetical protein 0.0025 0.0004 0.0003
Trypanosoma brucei histone deacetylase 3 0.0414 0.0663 0.4411
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0012 0.0036
Onchocerca volvulus 0.0139 0.0197 0.029
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0012 0.002
Brugia malayi histone deacetylase 11 0.0343 0.0543 0.0793
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0047 0.0042 0.0657
Loa Loa (eye worm) hypothetical protein 0.0207 0.0313 0.0459
Trypanosoma cruzi Peptide deformylase 2, putative 0.0907 0.1497 1
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Loa Loa (eye worm) hypothetical protein 0.0181 0.0268 0.0394
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0041 0.0093
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.028 0.0437 0.1003
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0021 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0046 0.0063
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.188 0.3145 0.4612
Toxoplasma gondii histone deacetylase HDAC5 0.0172 0.0254 0.0627
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0035 0.0021 0.0109
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0012 0.0036
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Brugia malayi ADAM-TS Spacer 1 family protein 0.0306 0.048 0.0701
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.2034 0.3407 1
Echinococcus granulosus histone deacetylase 0.0414 0.0663 0.0657
Loa Loa (eye worm) histone deacetylase 1 0.0351 0.0556 0.0816
Schistosoma mansoni histone deacetylase hda2 0.0432 0.0694 0.2036
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0026 0.0006 0.0009
Schistosoma mansoni lamin 0.0027 0.0007 0.0021
Toxoplasma gondii leucyl aminopeptidase LAP 0.0104 0.0139 0.0338
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.0663 0.4427
Echinococcus multilocularis thymidylate synthase 0.0123 0.0171 0.0171
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.027 0.042 0.042
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.0006 0.0005
Brugia malayi hypothetical protein 0.0356 0.0565 0.0826
Loa Loa (eye worm) histone deacetylase 11 0.0343 0.0543 0.0796
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0022 0.0022
Trichomonas vaginalis histone deacetylase, putative 0.0351 0.0556 1
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Brugia malayi glutathione reductase 0.0047 0.0041 0.0057
Echinococcus multilocularis histone deacetylase 6 0.0414 0.0663 0.0663
Brugia malayi angiogenesis inhibito 0.0184 0.0274 0.0399
Loa Loa (eye worm) hypothetical protein 0.0157 0.0228 0.0335
Onchocerca volvulus 0.0123 0.0171 0.0251
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.0143 0.0257
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Trypanosoma cruzi histone deacetylase, putative 0.0414 0.0663 0.4427
Leishmania major polypeptide deformylase-like protein, putative 0.0907 0.1497 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0041 0.0093
Plasmodium vivax peptide deformylase, putative 0.2376 0.3985 1
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Echinococcus multilocularis leucine aminopeptidase protein 0.0104 0.0139 0.0139
Loa Loa (eye worm) matrix metalloproteinase 0.1586 0.2647 0.3883
Brugia malayi hypothetical protein 0.0036 0.0022 0.0029
Schistosoma mansoni dihydrofolate reductase 0.005 0.0047 0.0139
Loa Loa (eye worm) hypothetical protein 0.028 0.0437 0.0641
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0068 0.0078 0.0228
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0022 0.0066
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0021 0.0021
Brugia malayi Angiotensin-converting enzyme family protein 0.0749 0.123 0.1801
Plasmodium falciparum glutathione reductase 0.0047 0.0041 0.0093
Loa Loa (eye worm) cysteine protease 0.0026 0.0006 0.0009
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0905 0.1494 0.1494
Brugia malayi Matrixin family protein 0.1586 0.2647 0.3881
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0022 0.0016
Echinococcus multilocularis histone deacetylase 6 0.0414 0.0663 0.0663
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.0143 0.0257
Echinococcus granulosus histone deacetylase 6 0.0432 0.0694 0.0688
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0041 0.0061
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0006 0.0009
Schistosoma mansoni hypothetical protein 0.0168 0.0246 0.0722
Brugia malayi histone deacetylase 1 (HD1) 0.0351 0.0556 0.0813
Schistosoma mansoni histone deacetylase 1 2 3 0.0172 0.0254 0.0745
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.028 0.0437 0.0638
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0905 0.1494 0.1489
Brugia malayi histone deacetylase 3 (HD3) 0.0351 0.0556 0.0813
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0104 0.0139 0.0338
Loa Loa (eye worm) ctsf protein 0.0026 0.0006 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0062 0.1006
Plasmodium falciparum plasmepsin VI 0.0047 0.0042 0.0095
Brugia malayi Thioredoxin reductase 0.0047 0.0041 0.0057
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.0104 0.0139 0.0902
Echinococcus granulosus leucine aminopeptidase protein 0.0104 0.0139 0.0133
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0351 0.0556 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.028 0.0437 0.1282
Loa Loa (eye worm) hypothetical protein 0.026 0.0402 0.059
Leishmania major cathepsin L-like protease 0.0026 0.0006 0.0013
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0004 0.0029
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0125 0.0173 0.0173
Echinococcus multilocularis disintegrin and metalloproteinase 0.0175 0.0259 0.0259
Echinococcus multilocularis geminin 0.0168 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0046 0.0067
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0041 0.0041
Toxoplasma gondii peptidase family M13 protein 0.028 0.0437 0.1086
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0199 0.03 0.0879
Schistosoma mansoni neprilysin 0.0073 0.0086 0.0252
Trypanosoma brucei Polypeptide deformylase 1 0.0907 0.1497 1
Leishmania major histone deacetylase, putative 0.0351 0.0556 0.3696
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Loa Loa (eye worm) hypothetical protein 0.1586 0.2647 0.3883
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Echinococcus multilocularis subfamily M12B unassigned peptidase 0.0199 0.03 0.03
Leishmania major cysteine peptidase A (CPA) 0.0026 0.0006 0.0013
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0035 0.0021 0.0261
Loa Loa (eye worm) aminopeptidase N 0.0035 0.0021 0.003
Schistosoma mansoni hypothetical protein 0.0073 0.0086 0.0252
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.001 0.0004
Onchocerca volvulus 0.003 0.0012 0.0009
Onchocerca volvulus Matrilysin homolog 0.3914 0.659 1
Loa Loa (eye worm) matrixin family protein 0.4048 0.6817 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.0311 0.0456
Schistosoma mansoni lamin 0.0027 0.0007 0.0021
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.0163 0.0294
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0802 0.1321 0.1321
Leishmania major histone deacetylase, putative 0.0351 0.0556 0.3696
Brugia malayi Histone deacetylase family protein 0.0414 0.0663 0.0969
Onchocerca volvulus 0.0238 0.0365 0.0546
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0123 0.0171 0.0329
Trichomonas vaginalis set domain proteins, putative 0.0234 0.0359 0.6415
Echinococcus granulosus subfamily M12B unassigned peptidase 0.0199 0.03 0.0293
Plasmodium falciparum plasmepsin I 0.0047 0.0042 0.0095
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0006 0.0018
Trypanosoma brucei histone deacetylase 2 0.0172 0.0254 0.1671
Schistosoma mansoni intermediate filament proteins 0.0027 0.0007 0.0021
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0012 0.0012
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0174 0.0256 0.1689
Loa Loa (eye worm) histone deacetylase 3 0.0351 0.0556 0.0816
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Loa Loa (eye worm) thymidylate synthase 0.0123 0.0171 0.0251
Toxoplasma gondii histone deacetylase HDAC1 0.0414 0.0663 0.1654
Loa Loa (eye worm) hypothetical protein 0.028 0.0437 0.0641
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0174 0.0256 0.0633
Brugia malayi Matrixin family protein 0.1586 0.2647 0.3881
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0907 0.1497 1
Toxoplasma gondii cathepsin CPL 0.0026 0.0006 0.0005
Loa Loa (eye worm) hypothetical protein 0.0025 0.0004 0.0006
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0068 0.0078 0.0228
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0047 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0011
Echinococcus multilocularis cysteine protease 0.0026 0.0006 0.0006
Trypanosoma brucei histone deacetylase 4 0.0414 0.0663 0.4411
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0006 0.0006
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0007 0.0011
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.005 0.0047 0.0015
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Trypanosoma brucei Peptide deformylase 2 0.0907 0.1497 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0125 0.0173 0.0167
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0104 0.0139 0.0247
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Echinococcus multilocularis histone deacetylase 1 0.0351 0.0556 0.0556
Brugia malayi hypothetical protein 0.0035 0.0021 0.0027
Loa Loa (eye worm) zinc metallopeptidase 4 0.0068 0.0078 0.0114
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0006 0.0009
Plasmodium falciparum histone deacetylase 2 0.0414 0.0663 0.1654
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0047 0.0042 0.0062
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.5928 1 1
Plasmodium vivax histone deacetylase 2, putative 0.0414 0.0663 0.1654
Trypanosoma brucei metallo-peptidase, Clan MF, Family M17 0.0104 0.0139 0.0902
Onchocerca volvulus 0.1586 0.2647 0.4011
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0006 0.0042
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0174 0.0256 0.0633
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0004 0.0029
Toxoplasma gondii aspartyl protease ASP1 0.0047 0.0042 0.0095
Schistosoma mansoni ADAMTS14 peptidase (M12 family) 0.0024 0.0002 0.0007
Plasmodium falciparum plasmepsin II 0.0047 0.0042 0.0095
Mycobacterium ulcerans leucyl aminopeptidase 0.0104 0.0139 0.0299
Brugia malayi Cathepsin L-like precursor 0.0026 0.0006 0.0006
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0026 0.0006 0.0013
Loa Loa (eye worm) hypothetical protein 0.0207 0.0313 0.0459
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0123 0.0171 0.0502
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0047 0.0042 0.0095
Plasmodium falciparum M17 leucyl aminopeptidase 0.0104 0.0139 0.0338
Plasmodium falciparum plasmepsin IV 0.0047 0.0042 0.0095
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0035 0.0021 0.0021
Loa Loa (eye worm) peptidase family M13 containing protein 0.0207 0.0313 0.0459
Schistosoma mansoni histone deacetylase 0.0351 0.0556 0.1632
Echinococcus granulosus endothelin converting enzyme 1 0.028 0.0437 0.0431
Plasmodium vivax histone deacetylase, putative 0.0343 0.0543 0.1352
Loa Loa (eye worm) hypothetical protein 0.0212 0.0321 0.0471
Trypanosoma cruzi histone deacetylase, putative 0.0172 0.0254 0.1695
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.2376 0.3985 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0056 0.0082
Onchocerca volvulus Papilin homolog 0.0055 0.0056 0.0076
Trypanosoma cruzi histone deacetylase 1, putative 0.0351 0.0556 0.3714

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36 nM In vitro inhibition of Angiotensin I converting enzyme ChEMBL. 6310112
IC50 (binding) = 36 nM In vitro inhibition of Angiotensin I converting enzyme ChEMBL. 6310112

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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