Detailed information for compound 77276

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 393.904 | Formula: C21H28ClNO4
  • H donors: 1 H acceptors: 0 LogP: 5.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1C(Nc2cccc(c2)Cl)O[C@H]2[C@@]34[C@H]1CC[C@H]([C@@H]4CC[C@](O2)(OO3)C)C
  • InChi: 1S/C21H28ClNO4/c1-12-7-8-17-13(2)18(23-15-6-4-5-14(22)11-15)24-19-21(17)16(12)9-10-20(3,25-19)26-27-21/h4-6,11-13,16-19,23H,7-10H2,1-3H3/t12-,13-,16+,17+,18?,19-,20-,21-/m1/s1
  • InChiKey: DVUVHGBXRLKFTP-QYZBIFNNSA-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
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0026 0.0193 0.0059
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0026 0.0193 0.0184
Loa Loa (eye worm) hypothetical protein 0.0088 0.1028 0.1019
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.1028 0.1028
Echinococcus multilocularis cpg binding protein 0.0031 0.0258 0.0258
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.1638 0.163
Trichomonas vaginalis set domain proteins, putative 0.0697 0.9162 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0189 0.2377 1
Mycobacterium ulcerans putative regulatory protein 0.0036 0.0334 0.0686
Schistosoma mansoni acetylcholinesterase 0.0128 0.1563 0.1563
Echinococcus multilocularis thioredoxin glutathione reductase 0.0076 0.0858 0.0858
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.001 0.001
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0314 0.046
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0013 0.0018 0.0008
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0314 0.3584
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0314 0.0629
Brugia malayi Pre-SET motif family protein 0.0612 0.8032 0.8031
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1563 0.1563
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0082 0.094 0.094
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Loa Loa (eye worm) hypothetical protein 0.0025 0.0188 0.0178
Brugia malayi hypoxia-induced factor 1 0.0152 0.1883 0.1875
Echinococcus granulosus para nitrobenzyl esterase 0.0128 0.1563 0.1563
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.2832 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0128 0.1563 0.1563
Brugia malayi Carboxylesterase family protein 0.0128 0.1563 0.1555
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0188 0.1207
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0193 0.2114
Onchocerca volvulus 0.0036 0.0334 0.0345
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1638 0.1638
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0314 0.046
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Echinococcus multilocularis aryl hydrocarbon receptor 0.0013 0.0018 0.0018
Trichomonas vaginalis glutaminase, putative 0.0276 0.3543 0.3855
Brugia malayi hypothetical protein 0.0105 0.1246 0.1238
Brugia malayi beta-lactamase family protein 0.0035 0.0314 0.0306
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0314 0.046
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0714 0.0714
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.017 0.2123 0.7313
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0098 0.0963
Plasmodium falciparum thioredoxin reductase 0.0075 0.0845 1
Brugia malayi Carboxylesterase family protein 0.0128 0.1563 0.1555
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0314 0.046
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1563 0.1563
Schistosoma mansoni single-minded 0.0049 0.0505 0.0505
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0026 0.0193 0.0059
Mycobacterium tuberculosis Conserved protein 0.0035 0.0314 0.046
Entamoeba histolytica hypothetical protein 0.0105 0.1246 0.5
Echinococcus granulosus neuropeptide s receptor 0.045 0.5856 0.5856
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0188 0.2054
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0026 0.0193 0.0059
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.1028 0.1028
Trichomonas vaginalis glutathione reductase, putative 0.0026 0.0193 0.0191
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1638 0.1638
Loa Loa (eye worm) thioredoxin reductase 0.0075 0.0845 0.0835
Brugia malayi CXXC zinc finger family protein 0.0029 0.0235 0.0227
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0128 0.1563 0.5189
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0626 0.521
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0314 0.0306
Onchocerca volvulus 0.0029 0.0235 0.0238
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0019 0.0101 0.0092
Loa Loa (eye worm) hypothetical protein 0.0013 0.0018 0.0008
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.017 0.2123 0.8923
Echinococcus multilocularis neuropeptide receptor A26 0.045 0.5856 0.5856
Trypanosoma brucei trypanothione reductase 0.0075 0.0845 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Toxoplasma gondii ABC1 family protein 0.0035 0.0314 0.1505
Schistosoma mansoni apoptosis regulator bax 0.0082 0.094 0.094
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0314 0.046
Brugia malayi hypothetical protein 0.0016 0.0067 0.0058
Echinococcus multilocularis neuroligin 0.0128 0.1563 0.1563
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0193 0.1274
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0647 0.1595
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0128 0.1563 0.1563
Loa Loa (eye worm) carboxylesterase 0.0128 0.1563 0.1554
Schistosoma mansoni glutaminase 0.0276 0.3543 0.3543
Schistosoma mansoni cpg binding protein 0.0031 0.0258 0.0258
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0082 0.094 0.094
Brugia malayi MH2 domain containing protein 0.0115 0.1389 0.1381
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0314 0.0629
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0105 0.1246 0.1246
Plasmodium falciparum glutathione reductase 0.0026 0.0193 0.0076
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0098 0.0087
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0314 0.046
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0026 0.0193 0.0193
Leishmania major hypothetical protein, conserved 0.0035 0.0314 0.3584
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1638 0.1638
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0088 0.1028 0.1028
Treponema pallidum NADH oxidase 0.0026 0.0193 0.5
Leishmania major trypanothione reductase 0.0075 0.0845 1
Onchocerca volvulus 0.0697 0.9162 1
Echinococcus granulosus carboxylesterase 5A 0.076 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0647 0.1595
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0128 0.1563 0.1563
Mycobacterium ulcerans lipase LipD 0.0035 0.0314 0.0629
Loa Loa (eye worm) glutaminase 2 0.0276 0.3543 0.3536
Echinococcus granulosus neuroligin 0.0128 0.1563 0.1563
Echinococcus multilocularis neuropeptide s receptor 0.045 0.5856 0.5856
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Trichomonas vaginalis spcc417.12 protein, putative 0.0128 0.1563 0.1689
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1638 0.1638
Schistosoma mansoni cpg binding protein 0.0029 0.0235 0.0235
Brugia malayi Cytochrome P450 family protein 0.0047 0.0478 0.0469
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1389 0.138
Leishmania major cytochrome p450-like protein 0.0019 0.0098 0.0963
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Brugia malayi Cytochrome P450 family protein 0.0019 0.0098 0.0089
Brugia malayi hypothetical protein 0.0165 0.2054 0.2046
Loa Loa (eye worm) carboxylesterase 0.0128 0.1563 0.1554
Brugia malayi bHLH-PAS transcription factor 0.0036 0.0334 0.0325
Brugia malayi Cytochrome P450 family protein 0.0019 0.0098 0.0089
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0098 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1638 0.1638
Toxoplasma gondii NADPH-glutathione reductase 0.0026 0.0193 0.0059
Schistosoma mansoni microtubule-associated protein tau 0.0681 0.8956 0.8956
Mycobacterium tuberculosis Probable oxidoreductase 0.0189 0.2377 0.8275
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0128 0.1563 0.5189
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.076 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0026 0.0193 0.2114
Brugia malayi glutaminase DH11.1 0.0276 0.3543 0.3537
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0314 0.0324
Entamoeba histolytica hypothetical protein 0.0105 0.1246 0.5
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Plasmodium falciparum thioredoxin reductase 0.0026 0.0193 0.0076
Brugia malayi Thioredoxin reductase 0.0075 0.0845 0.0837
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0314 0.0324
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0026 0.0193 1
Loa Loa (eye worm) acetylcholinesterase 1 0.076 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0647 0.0647
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0013 0.0018 0.0018
Trichomonas vaginalis mercuric reductase, putative 0.0026 0.0193 0.0191
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0026 0.0193 0.2114
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0193 0.5
Loa Loa (eye worm) glutathione reductase 0.0075 0.0845 0.0835
Onchocerca volvulus 0.0128 0.1563 0.1689
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.017 0.2123 0.7313
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0013 0.0018 0.0018
Brugia malayi beta-lactamase family protein 0.0035 0.0314 0.0306
Onchocerca volvulus 0.0088 0.1028 0.1105
Mycobacterium tuberculosis Putative ferredoxin reductase 0.017 0.2123 0.7313
Echinococcus granulosus single minded 2 0.0036 0.0334 0.0334
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0088 0.1028 0.1028
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0314 0.1256
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0314 0.0304
Loa Loa (eye worm) carboxylesterase 0.076 1 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.2054 0.2045
Leishmania major hypothetical protein, conserved 0.0025 0.0188 0.2054
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0026 0.0193 0.0193
Echinococcus multilocularis BC026374 protein (S09 family) 0.0128 0.1563 0.1563
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0026 0.0193 0.0276
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0026 0.0193 0.0076
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0647 0.0647
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0026 0.0193 0.1274
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Echinococcus granulosus aryl hydrocarbon receptor 0.0013 0.0018 0.0018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0314 0.0314
Trypanosoma cruzi trypanothione reductase, putative 0.0026 0.0193 0.2114
Onchocerca volvulus 0.0128 0.1563 0.1689
Mycobacterium ulcerans glutaminase 0.0276 0.3543 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0647 0.0647
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0026 0.0193 0.2114
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0647 0.5465
Mycobacterium ulcerans carboxylesterase, LipT 0.0128 0.1563 0.4252
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0019 0.0101 0.0092
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0647 0.1721
Echinococcus granulosus histone lysine methyltransferase setb 0.0088 0.1028 0.1028
Entamoeba histolytica hypothetical protein 0.0105 0.1246 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0647 0.0647
Mycobacterium ulcerans beta-lactamase 0.0035 0.0314 0.0629
Loa Loa (eye worm) hypothetical protein 0.0082 0.094 0.0931
Brugia malayi Pre-SET motif family protein 0.0088 0.1028 0.102
Onchocerca volvulus 0.0035 0.0314 0.0324
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0314 0.1505
Echinococcus multilocularis microtubule associated protein 2 0.0681 0.8956 0.8956
Loa Loa (eye worm) hypothetical protein 0.076 1 1
Echinococcus granulosus cpg binding protein 0.0031 0.0258 0.0258
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0314 0.0324
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0026 0.0193 0.1274
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0314 0.3584
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0314 0.0314
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0314 0.0324
Plasmodium vivax thioredoxin reductase, putative 0.0075 0.0845 0.7816
Echinococcus multilocularis dnaJ subfamily B 0.0414 0.5377 0.5377
Brugia malayi beta-lactamase 0.0035 0.0314 0.0306
Echinococcus multilocularis acetylcholinesterase 0.076 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0188 0.2054
Echinococcus granulosus neuropeptide receptor A26 0.045 0.5856 0.5856
Schistosoma mansoni hypothetical protein 0.0105 0.1246 0.1246
Mycobacterium tuberculosis Carboxylesterase LipT 0.0128 0.1563 0.5189
Echinococcus granulosus acetylcholinesterase 0.076 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1389 0.138
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0235 0.0225
Toxoplasma gondii thioredoxin reductase 0.0075 0.0845 0.7816
Trichomonas vaginalis esterase, putative 0.0035 0.0314 0.0324
Echinococcus granulosus thioredoxin glutathione reductase 0.0076 0.0858 0.0858
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0314 0.0324
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0314 0.29
Onchocerca volvulus 0.0128 0.1563 0.1689
Brugia malayi Carboxylesterase family protein 0.0128 0.1563 0.1555
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0314 0.0314
Plasmodium vivax SET domain protein, putative 0.0088 0.1028 1
Echinococcus granulosus acetylcholinesterase 0.076 1 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0082 0.094 0.0932
Onchocerca volvulus 0.0128 0.1563 0.1689
Loa Loa (eye worm) apoptosis regulator protein 0.0082 0.094 0.0931
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0026 0.0193 0.0193
Echinococcus granulosus microtubule associated protein 2 0.0681 0.8956 0.8956
Echinococcus multilocularis carboxylesterase 5A 0.076 1 1
Onchocerca volvulus 0.0128 0.1563 0.1689
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0105 0.1246 0.1246
Schistosoma mansoni neuroligin 3 (S09 family) 0.0128 0.1563 0.1563
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0082 0.094 0.094
Schistosoma mansoni transcription factor LCR-F1 0.0105 0.1246 0.1246
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.017 0.2123 0.7313
Loa Loa (eye worm) hypoxia-induced factor 1 0.0152 0.1883 0.1874
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0128 0.1563 0.1563
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0082 0.094 0.094
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1638 0.1638
Echinococcus granulosus dnaJ subfamily B 0.0414 0.5377 0.5377
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0098 0.0087
Trypanosoma cruzi trypanothione reductase, putative 0.0075 0.0845 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0314 0.0314
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.001 0.001
Brugia malayi hypothetical protein 0.0025 0.0188 0.0179
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0026 0.0193 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0026 0.0193 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0314 0.0304
Mycobacterium tuberculosis Conserved protein 0.0035 0.0314 0.046
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0647 0.1595
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0026 0.0193 0.0276
Echinococcus multilocularis acetylcholinesterase 0.076 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0647 0.761
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0128 0.1563 0.1689
Schistosoma mansoni hypothetical protein 0.0082 0.094 0.094
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0189 0.2377 0.8275
Plasmodium vivax glutathione reductase, putative 0.0075 0.0845 0.7816
Schistosoma mansoni gliotactin 0.0128 0.1563 0.1563
Schistosoma mansoni hypothetical protein 0.0082 0.094 0.094
Brugia malayi glutathione reductase 0.0075 0.0845 0.0837
Brugia malayi Carboxylesterase family protein 0.076 1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0314 0.046
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0189 0.2377 0.8275
Loa Loa (eye worm) hypothetical protein 0.0128 0.1563 0.1554
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0098 0.0963
Schistosoma mansoni aryl hydrocarbon receptor 0.0049 0.0505 0.0505
Mycobacterium leprae Probable lipase LipE 0.0035 0.0314 0.1256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1638 0.1638
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0075 0.0845 0.247
Schistosoma mansoni BC026374 protein (S09 family) 0.0128 0.1563 0.1563
Entamoeba histolytica hypothetical protein 0.0105 0.1246 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0612 0.8032 0.803
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0088 0.1028 0.1028
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0026 0.0193 0.0276
Plasmodium falciparum glutathione reductase 0.0075 0.0845 1
Brugia malayi PAS domain containing protein 0.0049 0.0505 0.0496
Loa Loa (eye worm) beta-lactamase 0.0035 0.0314 0.0304
Schistosoma mansoni hypothetical protein 0.0082 0.094 0.094
Mycobacterium tuberculosis Probable reductase 0.017 0.2123 0.7313
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.1638 0.1629
Loa Loa (eye worm) glutaminase 0.0276 0.3543 0.3536
Echinococcus multilocularis transfer RNA-Lys 0.0036 0.0334 0.0334
Echinococcus granulosus BC026374 protein S09 family 0.0128 0.1563 0.1563
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0085 0.0977 0.0977
Schistosoma mansoni hypothetical protein 0.0414 0.5377 0.5377
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0026 0.0193 0.1274
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0026 0.0193 0.0076
Schistosoma mansoni cpg binding protein 0.0031 0.0258 0.0258
Onchocerca volvulus 0.0035 0.0314 0.0324
Brugia malayi hypothetical protein 0.0128 0.1563 0.1555
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0082 0.094 0.094
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0088 0.1028 0.1028
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0088 0.1028 1
Brugia malayi Carboxylesterase family protein 0.0128 0.1563 0.1555
Onchocerca volvulus 0.0035 0.0314 0.0324
Mycobacterium ulcerans hypothetical protein 0.0035 0.0314 0.0629
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0314 0.046
Mycobacterium tuberculosis Probable dehydrogenase 0.017 0.2123 0.7313
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0026 0.0193 0.2114
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0478 0.0468

Activities

Activity type Activity value Assay description Source Reference
SD50 (functional) = 1.62 mg kg-1 day-1 Antimalarial activity against Plasmodium berghei [K173 strain] in mice by peroral administration using peanut oil ChEMBL. No reference
SD50 (functional) = 1.62 mg kg-1 day-1 Antimalarial activity against Plasmodium berghei [K173 strain] in mice by peroral administration using peanut oil ChEMBL. No reference
SD90 (functional) = 4.8 mg kg-1 day-1 Antimalarial activity against Plasmodium berghei [K173 strain] in mice by peroral administration using peanut oil ChEMBL. No reference
SD90 (functional) = 4.8 mg kg-1 day-1 Antimalarial activity against Plasmodium berghei [K173 strain] in mice by peroral administration using peanut oil ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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