Detailed information for compound 591472

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 555.022 | Formula: C28H31ClN4O6
  • H donors: 1 H acceptors: 4 LogP: 1.15 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1c3nc4cc5OCCOc5cc4c(c3Cn1c2=O)CN1CCN(CC1)C.Cl
  • InChi: 1S/C28H30N4O6.ClH/c1-3-28(35)20-11-22-25-18(14-32(22)26(33)19(20)15-38-27(28)34)17(13-31-6-4-30(2)5-7-31)16-10-23-24(12-21(16)29-25)37-9-8-36-23;/h10-12,35H,3-9,13-15H2,1-2H3;1H/t28-;/m0./s1
  • InChiKey: QMPCDCOUWHEXIE-JCOPYZAKSA-N  


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
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0513 0.0702
Loa Loa (eye worm) hypothetical protein 0.005 0.2576 0.2687
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0339 0.0326
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0513 0.0671
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.1008 0.1052
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0036 0.1596 0.1634
Loa Loa (eye worm) hypothetical protein 0.0013 0.0038 0.0036
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0339 0.0351
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0513 0.0896
Echinococcus multilocularis lamin dm0 0.0027 0.1008 0.1017
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0061 0.3331 0.8832
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0222 0.02
Plasmodium vivax vivapain-2 0.0018 0.0339 0.0116
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0513 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Echinococcus multilocularis cysteine protease 0.0018 0.0339 0.0316
Loa Loa (eye worm) hypothetical protein 0.0036 0.1596 0.1664
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0513 0.0498
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.1948 0.7342
Onchocerca volvulus 0.0027 0.1008 0.2221
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Onchocerca volvulus Cell death protein 3 homolog 0.0062 0.335 1
Entamoeba histolytica hypothetical protein 0.0036 0.1618 0.4537
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.5916 0.6356
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.2204 0.6359
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0339 0.0116
Schistosoma mansoni transient receptor potential channel 4 0.0097 0.5757 0.566
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus multilocularis caspase 2 0.0062 0.335 0.3472
Schistosoma mansoni lamin 0.0027 0.1008 0.0804
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0339 0.0091
Plasmodium vivax glutathione reductase, putative 0.005 0.254 1
Brugia malayi Cell death protein 3 precursor 0.0062 0.335 0.3498
Echinococcus granulosus cysteine protease atg4b 0.0059 0.3157 0.3374
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.3157 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.1948 0.571
Loa Loa (eye worm) hypothetical protein 0.0034 0.1487 0.1549
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.2746 0.712
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0339 0.0076
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0513 0.0268
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.3157 0.3002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.5916 0.5823
Loa Loa (eye worm) hypothetical protein 0.0016 0.0222 0.0229
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.373 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3287 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Echinococcus granulosus cathepsin l1 0.0018 0.0339 0.0326
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.3514 0.3644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0222 0.0193
Entamoeba histolytica hypothetical protein 0.0036 0.1618 0.4537
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus granulosus apoptotic protease activating factor 1 0.0062 0.335 0.3582
Schistosoma mansoni autophagin-1 (C54 family) 0.0059 0.3157 0.3002
Loa Loa (eye worm) hypothetical protein 0.0027 0.1008 0.1049
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.373 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.2204 0.2343
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.3514 0.3759
Loa Loa (eye worm) hypothetical protein 0.0018 0.0339 0.0351
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0513 0.0532
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2576 0.2687
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1618 0.1427
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0137 0.014
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Loa Loa (eye worm) hypothetical protein 0.0033 0.1375 0.1433
Schistosoma mansoni hypothetical protein 0.0036 0.1618 0.1427
Loa Loa (eye worm) hypothetical protein 0.0059 0.3157 0.3294
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0339 0.012
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0339 0.0116
Toxoplasma gondii exonuclease III APE 0.002 0.0513 0.0671
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0339 0.0316
Schistosoma mansoni hypothetical protein 0.0034 0.1487 0.1293
Entamoeba histolytica peptidase, C54 family 0.0023 0.0702 0.1288
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.373 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0313 0.0327
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0222 0.0229
Loa Loa (eye worm) thioredoxin reductase 0.005 0.254 0.265
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0313 0.0298
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0023 0.0702 0.1138
Schistosoma mansoni transient receptor potential channel 0.0064 0.3514 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Plasmodium falciparum glutathione reductase 0.005 0.254 1
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.9578 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C54, putative 0.0023 0.0702 0.1138
Loa Loa (eye worm) acetyltransferase 0.0153 0.9578 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0313 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.3287 1
Schistosoma mansoni lamin 0.0027 0.1008 0.0804
Loa Loa (eye worm) glutathione reductase 0.005 0.254 0.265
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0513 0.0514
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0513 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.1008 0.1049
Toxoplasma gondii autophagy-related cysteine peptidase atg4, putative 0.0023 0.0702 0.1307
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0513 0.0584
Entamoeba histolytica hypothetical protein 0.0036 0.1618 0.4537
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Leishmania major cathepsin L-like protease 0.0067 0.373 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.3287 0.3406
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0222 0.0193
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.3287 0.3135
Leishmania major trypanothione reductase 0.005 0.254 0.6518
Echinococcus multilocularis lamin 0.0027 0.1008 0.1017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Leishmania major cathepsin L-like protease 0.0067 0.373 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Schistosoma mansoni ap endonuclease 0.002 0.0513 0.0297
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0339 0.012
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.373 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.9578 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.3293 0.3436
Echinococcus granulosus GPCR family 2 0.0016 0.0222 0.02
Echinococcus multilocularis cysteine protease atg4b 0.0059 0.3157 0.327
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus multilocularis musashi 0.0027 0.1008 0.1017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus granulosus TRP transient receptor potential channel 0.0036 0.1596 0.1685
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.2204 0.6649
Schistosoma mansoni intermediate filament proteins 0.0027 0.1008 0.0804
Echinococcus granulosus intermediate filament protein 0.0027 0.1008 0.1049
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.2204 0.8491
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.254 0.6518
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.6906 0.8837
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0513 0.0584
Plasmodium vivax vivapain-2 0.0018 0.0339 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3287 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1618 0.1709
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.3157 1
Mycobacterium tuberculosis Probable reductase 0.0114 0.6906 0.8837
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.6906 0.8837
Echinococcus multilocularis short transient receptor potential channel 6 0.0064 0.3514 0.3644
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.7773 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Schistosoma mansoni hypothetical protein 0.0049 0.2466 0.2295
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.2204 0.6649
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.335 0.3495
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0099 0.5916 0.6176
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.1948 1
Schistosoma mansoni ap endonuclease 0.002 0.0513 0.0297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.5916 0.5823
Echinococcus multilocularis Peptidase C54 0.0059 0.3157 0.327
Echinococcus multilocularis cysteine protease 0.0018 0.0339 0.0316
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0339 0.0326
Leishmania major cathepsin L-like protease 0.0067 0.373 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0513 0.0584
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0513 0.0584
Brugia malayi hypothetical protein 0.0062 0.335 0.3498
Echinococcus granulosus lamin 0.0027 0.1008 0.1049
Plasmodium falciparum cysteine protease ATG4, putative 0.0023 0.0702 0.1745
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0513 0.0536
Loa Loa (eye worm) hypothetical protein 0.0062 0.335 0.3495
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Brugia malayi Peptidase family C54 containing protein 0.0059 0.3157 0.3296
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.3287 0.8703
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0099 0.5916 0.5823
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0222 0.0232
Loa Loa (eye worm) hypothetical protein 0.0097 0.5757 0.6009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.5916 0.6161
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0339 0.0316
Leishmania major cathepsin L-like protease 0.0018 0.0339 0.0076
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2576 0.269
Echinococcus multilocularis apoptotic protease activating factor 1 0.0062 0.335 0.3472
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0339 0.0316
Entamoeba histolytica hypothetical protein 0.0036 0.1618 0.4537
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0099 0.5916 0.6356
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0313 0.0093
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0339 0.0316
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Brugia malayi hypothetical protein 0.0036 0.1618 0.1689
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.3157 0.8324
Leishmania major cathepsin L-like protease 0.0018 0.0339 0.0076
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0513 0.1221
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.254 0.2985
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.2204 0.6359
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.3157 0.8324
Brugia malayi glutathione reductase 0.005 0.254 0.2652
Brugia malayi Thioredoxin reductase 0.005 0.254 0.2652
Brugia malayi intermediate filament protein 0.0027 0.1008 0.1052
Entamoeba histolytica peptidase, C54 family 0.0023 0.0702 0.1288
Loa Loa (eye worm) ctsf protein 0.0018 0.0339 0.0351
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0513 0.0896
Toxoplasma gondii thioredoxin reductase 0.005 0.254 0.7488
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.6906 0.8837
Leishmania major cathepsin L-like protease 0.0018 0.0339 0.0076
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.3287 0.3135
Schistosoma mansoni caspase-7 (C14 family) 0.0062 0.335 0.3199
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.6906 0.8837
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.5536 0.5763
Toxoplasma gondii cathepsin CPL 0.0018 0.0339 0.0087
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0099 0.5916 0.6175
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.3157 1
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0023 0.0702 0.1138
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Leishmania major cathepsin L-like protease 0.0018 0.0339 0.0076
Onchocerca volvulus 0.0027 0.1008 0.2221
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.9285 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1487 0.1552
Echinococcus granulosus caspase 2 0.0062 0.335 0.3582
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.7773 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.254 0.2706
Trypanosoma cruzi cysteine peptidase, Clan CA, family C54, putative 0.0023 0.0702 0.1138
Plasmodium falciparum thioredoxin reductase 0.005 0.254 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.6906 0.8837
Brugia malayi Transient-receptor-potential like protein 0.0036 0.1596 0.1666
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0513 0.0617
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.3157 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0974 0.1013
Entamoeba histolytica peptidase, C54 family 0.0023 0.0702 0.1288
Trypanosoma brucei trypanothione reductase 0.005 0.254 0.6518
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0222 0.02
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.3287 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.3287 0.3514
Entamoeba histolytica peptidase, C54 family 0.0059 0.3157 1
Echinococcus granulosus Peptidase C54 0.0059 0.3157 0.3374
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.9578 0.9568
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2576 0.269
Echinococcus granulosus transient receptor potential gamma protein 0.0097 0.5757 0.6184
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0222 0.0193
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0313 0.0289
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0339 0.0091
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.3157 0.3002
Loa Loa (eye worm) cysteine protease 0.0018 0.0339 0.0351
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.5536 0.5946
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1618 0.1656
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0339 0.0116
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0339 0.0354
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0222 0.0232
Loa Loa (eye worm) fibroinase 0.0018 0.0339 0.0351
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.7773 1
Schistosoma mansoni hypothetical protein 0.0062 0.335 0.3199
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.373 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.1008 0.1049
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0339 0.0076
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.3287 0.3986
Echinococcus granulosus short transient receptor potential channel 6 0.0064 0.3514 0.3759
Plasmodium vivax thioredoxin reductase, putative 0.005 0.254 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0339 0.0351
Entamoeba histolytica peptidase, C54 family 0.0023 0.0702 0.1288
Leishmania major cathepsin L-like protease 0.0018 0.0339 0.0076
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.254 0.2623
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0099 0.5916 0.6161
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.7773 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0097 0.5757 0.5995
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0339 0.0091
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0137 0.0143
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.3157 1
Schistosoma mansoni transient receptor potential channel 0.0097 0.5757 0.566
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.3157 0.8324
Brugia malayi Cathepsin L-like precursor 0.0018 0.0339 0.0354
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0513 0.0702
Echinococcus granulosus lamin dm0 0.0027 0.1008 0.1049
Schistosoma mansoni transient receptor potential channel 0.0064 0.3514 0.3366
Onchocerca volvulus 0.0062 0.335 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 1 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 3.83 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 7.46 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 14.97 % ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro ChEMBL. No reference
Inhibition (functional) = 79 % GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM. ChEMBL. 20485427
Inhibition (functional) = 97 % GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition (functional) = 98 % GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM ChEMBL. 20485427
Inhibition frequency index (IFI) (functional) = 5.19 Inhibition Frequency Index (IFI) GSK. 20485427
Percent growth inhibition (functional) = 1 % Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 79 % Percent inhibition of HepG2 growth (at 10 uM) GSK. 20485427
Percent growth inhibition (functional) = 97 % Percent inhibition of P. falciparum Dd2 growth (at 2 uM) GSK. 20485427
Percent growth inhibition (functional) = 98 % Percent inhibition of P. falciparum 3D7 growth (at 2 uM) GSK. 20485427
XC50 (functional) = 6.35 XC50 determination of P. falciparum 3D7 growth GSK. 20485427
XC50 (functional) = 0.44582 uM GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth. ChEMBL. 20485427

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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