Detailed information for compound 1043415

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.612 | Formula: C28H37N3O2
  • H donors: 1 H acceptors: 1 LogP: 6.19 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(c1nc(c(o1)N1CCCCC1)Cc1ccccc1)NCc1ccccc1OC)C
  • InChi: 1S/C28H37N3O2/c1-4-21(2)26(29-20-23-15-9-10-16-25(23)32-3)27-30-24(19-22-13-7-5-8-14-22)28(33-27)31-17-11-6-12-18-31/h5,7-10,13-16,21,26,29H,4,6,11-12,17-20H2,1-3H3
  • InChiKey: QUYHWFCDBBRAOW-UHFFFAOYSA-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
Brugia malayi nuclear receptor NHR-88 0.001 0.0193 0.0193
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0013 0.0283 0.0405
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1275 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0013 0.0283 0.0405
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1275 0.124
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0193 0.0193
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0188 0.698 0.6892
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1504 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1504 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0193 0.1283
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.1077 0.1543
Trichomonas vaginalis set domain proteins, putative 0.0232 0.8661 0.8656
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0193 0.0193
Mycobacterium ulcerans beta-lactamase 0.0039 0.1275 0.1021
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0934 0.6212
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.9242 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0415 0.2761
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0104 0.069
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0193 0.1283
Brugia malayi hypothetical protein 0.0005 0.0006 0.0006
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0169 0.1124
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0013 0.0283 0.2219
Leishmania major hypothetical protein, conserved 0.0033 0.1077 0.8004
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0534 0.3553
Onchocerca volvulus 0.0039 0.1275 0.1472
Schistosoma mansoni ap endonuclease 0.0019 0.0534 0.0534
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1275 0.124
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0193 0.1283
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0193 0.0193
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0534 0.0765
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0033 0.1077 0.7161
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1504 0.1504
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0415 0.0415
Mycobacterium tuberculosis Conserved protein 0.0039 0.1275 0.1107
Brugia malayi beta-lactamase 0.0039 0.1275 0.1275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0934 0.0934
Brugia malayi nuclear receptor RXR 0.0005 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0193 0.0193
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0013 0.0283 0.0405
Loa Loa (eye worm) hypothetical protein 0.003 0.0934 0.0934
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.1275 0.1021
Onchocerca volvulus 0.003 0.0934 0.1078
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0006 0.0006
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1275 0.1275
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0415 0.0415
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0165 0.0165
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0006 0.0006
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0188 0.698 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Echinococcus granulosus FTZ F1 alpha 0.001 0.0193 0.1283
Onchocerca volvulus 0.0232 0.8661 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0415 0.0415
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0283 0.0283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1504 0.1504
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1752 0.1752
Brugia malayi Pre-SET motif family protein 0.003 0.0934 0.0934
Trypanosoma brucei pteridine reductase 1 0.0013 0.0283 0.2219
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.1275 0.1275
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0193 0.1283
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.1275 0.1275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0193 0.0193
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.1275 0.1107
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0193 0.1283
Loa Loa (eye worm) oxidoreductase 0.0013 0.0283 0.0283
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0193 0.0193
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0193 0.0223
Echinococcus granulosus cpg binding protein 0.003 0.093 0.6181
Plasmodium vivax hypothetical protein, conserved 0.0039 0.1275 0.1826
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0415 0.2761
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0193 0.1283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1504 0.1504
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0193 0.0193
Mycobacterium ulcerans lipase LipD 0.0039 0.1275 0.1021
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0193 0.1283
Loa Loa (eye worm) hypothetical protein 0.0035 0.1133 0.1133
Echinococcus granulosus GPCR family 2 0.0016 0.0415 0.2761
Schistosoma mansoni cpg binding protein 0.003 0.093 0.093
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1868 0.2677
Trypanosoma brucei oxidoreductase-like protein 0.0013 0.0283 0.2219
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Schistosoma mansoni thyroid hormone receptor 0.001 0.0193 0.0193
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0868 0.0868
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0104 0.069
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Schistosoma mansoni glutaminase 0.0267 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0534 0.0534
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0193 0.0193
Trichomonas vaginalis esterase, putative 0.0039 0.1275 0.124
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.1275 0.124
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0283 0.0283
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0033 0.1077 0.7161
Loa Loa (eye worm) histone methyltransferase 0.001 0.0169 0.0169
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0193 0.1283
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0193 0.1283
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0415 0.2761
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0169 0.1124
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0534 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 0.0193 0.0193
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.2111 0.2111
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0193 0.0193
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0104 0.069
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0188 0.698 1
Toxoplasma gondii ABC1 family protein 0.0039 0.1275 0.1826
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0534 0.419
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0193 0.0193
Brugia malayi CXXC zinc finger family protein 0.0028 0.0868 0.0868
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.1275 0.1021
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0534 0.419
Brugia malayi beta-lactamase family protein 0.0039 0.1275 0.1275
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0013 0.0283 0.1882
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0193 0.1283
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0193 0.0193
Mycobacterium tuberculosis Conserved protein 0.0039 0.1275 0.1107
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0193 0.0193
Plasmodium falciparum enoyl-acyl carrier reductase 0.0188 0.698 1
Toxoplasma gondii exonuclease III APE 0.0019 0.0534 0.0765
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0006 0.0006
Leishmania major hypothetical protein, conserved 0.0039 0.1275 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1504 0.1504
Brugia malayi Augmenter of liver regeneration 0.0033 0.1077 0.1077
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.1275 0.1107
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1275 1
Mycobacterium leprae Probable lipase LipE 0.0039 0.1275 0.1481
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0193 0.0193
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0006 0.0039
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0188 0.698 0.7475
Schistosoma mansoni cpg binding protein 0.003 0.093 0.093
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0534 0.2533
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.1275 0.1107
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0193 0.0193
Onchocerca volvulus 0.0028 0.0868 0.1003
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0283 0.0283
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0104 0.0104
Schistosoma mansoni hypothetical protein 0.0016 0.0415 0.0415
Loa Loa (eye worm) beta-lactamase 0.0039 0.1275 0.1275
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0534 0.3553
Onchocerca volvulus 0.0013 0.0283 0.0327
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1504 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.1275 0.1275
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0534 0.0497
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.1275 0.124
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0193 0.1283
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0193 0.0193
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1504 1
Brugia malayi nuclear hormone receptor 0.001 0.0193 0.0193
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0193 0.0193
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.1077 0.1543
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0934 0.0934
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0534 0.0765
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0934 0.0934
Schistosoma mansoni coup transcription factor 0.001 0.0193 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0013 0.0283 0.0283
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.1275 0.124
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.1077 0.8447
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0193 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0193 0.0193
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1133 0.1133
Mycobacterium leprae conserved hypothetical protein 0.0039 0.1275 0.1481
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0534 0.419
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.1275 0.8478
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0534 0.0375
Echinococcus multilocularis cpg binding protein 0.003 0.093 0.6181
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1752 0.1752
Onchocerca volvulus 0.0039 0.1275 0.1472
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0534 0.028
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0193 0.1283
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0006 0.0006
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0006 0.0039
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0193 0.1283
Trichomonas vaginalis glutaminase, putative 0.0267 1 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.1275 0.1107
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0283 0.2219
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0193 0.0193
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0013 0.0283 0.2219
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0039 0.1275 0.1275
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0534 0.0259
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0534 0.0497
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.1275 0.1107
Brugia malayi ecdysteroid receptor 0.001 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0016 0.0415 0.0415
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0188 0.698 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0415 0.2761
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.1275 0.1107
Brugia malayi beta-lactamase family protein 0.0039 0.1275 0.1275
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0193 0.0193
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0283 0.0283
Mycobacterium tuberculosis Conserved protein 0.0039 0.1275 0.1107
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0415 0.0415
Schistosoma mansoni thyroid hormone receptor 0.001 0.0193 0.0193
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0193 0.1283
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0193 0.0223
Onchocerca volvulus 0.001 0.0193 0.0223
Trichomonas vaginalis hypothetical protein 0.0188 0.698 0.6968
Loa Loa (eye worm) hypothetical protein 0.0051 0.1752 0.1752
Mycobacterium ulcerans glutaminase 0.0267 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0934 0.0934
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0033 0.1077 0.8447
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1752 0.1752
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0006 0.0006
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0013 0.0283 0.0405
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0415 0.0415
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0193 0.0193
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0193 0.1283
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0193 0.0193
Schistosoma mansoni ap endonuclease 0.0019 0.0534 0.0534
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0033 0.1077 0.1543
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.1077 0.8447
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0283 0.0283
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0534 0.0534
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0033 0.1077 0.8447
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0193 0.0193
Schistosoma mansoni cpg binding protein 0.0028 0.0868 0.0868
Loa Loa (eye worm) glutaminase 0.0267 1 1
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0188 0.698 1
Brugia malayi Pre-SET motif family protein 0.0204 0.7588 0.7588
Brugia malayi hypothetical protein 0.0005 0.0006 0.0006
Loa Loa (eye worm) hepatopoietin HPO2 0.0033 0.1077 0.1077
Onchocerca volvulus 0.0039 0.1275 0.1472
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0534 1
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.1275 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0934 0.1338
Brugia malayi glutaminase DH11.1 0.0267 1 1
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0283 0.0283
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0934 0.6212
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0013 0.0283 0.1882
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0193 0.0223
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Schistosoma mansoni hypothetical protein 0.0035 0.1133 0.1133
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0193 0.0193
Mycobacterium ulcerans hypothetical protein 0.0039 0.1275 0.1021
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0016 0.0415 0.0415
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0005 0.0006 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0193 0.1283
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0283 0.2219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1504 0.1504
Toxoplasma gondii Erv1 / Alr family protein 0.0033 0.1077 0.1543
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0193 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0193 0.0193
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.1275 0.8478
Onchocerca volvulus 0.0013 0.0283 0.0327
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0415 0.2761
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0193 0.0193
Plasmodium vivax SET domain protein, putative 0.003 0.0934 0.1338
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.087 0.5783
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0934 0.6212
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0193 0.0193
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0534 0.5
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0013 0.0283 0.0405
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.7588 0.7588
Loa Loa (eye worm) hypothetical protein 0.001 0.0193 0.0193
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0104 0.069
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0193 0.0193
Brugia malayi steroid hormone receptor 0.001 0.0193 0.0193
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.1275 0.1107
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0193 0.1283
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0188 0.698 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5 ug/ml DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro ChEMBL. No reference
IC50 > 10 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, 72 hour. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense
Mus musculus ChEMBL23
Trypanosoma brucei ChEMBL23

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

No literature references available for this target.

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