Detailed information for compound 518419

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 513.972 | Formula: C29H24ClN3O4
  • H donors: 1 H acceptors: 4 LogP: 3.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC1(O)CC(=O)OCc2c1cc1c3nc4ccccc4c(c3Cn1c2=O)/C=N/c1ccc(c(c1)Cl)C
  • InChi: 1S/C29H24ClN3O4/c1-3-29(36)12-26(34)37-15-21-22(29)11-25-27-20(14-33(25)28(21)35)19(18-6-4-5-7-24(18)32-27)13-31-17-9-8-16(2)23(30)10-17/h4-11,13,36H,3,12,14-15H2,1-2H3/b31-13+
  • InChiKey: JHXRANSHXKNTBB-IURWMYGYSA-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
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0256 0.023
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0088 0.1316 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.1714 0.1692
Brugia malayi tailless protein 0.0052 0.0685 0.0661
Loa Loa (eye worm) hypothetical protein 0.0076 0.1112 0.1112
Brugia malayi acetyltransferase, GNAT family protein 0.0141 0.2246 0.2226
Mycobacterium ulcerans hypothetical protein 0.0028 0.0256 0.0226
Schistosoma mansoni RAR-like nuclear receptor 0.0111 0.1714 0.3008
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.2267 0.3557
Echinococcus granulosus histone acetyltransferase KAT2B 0.0137 0.2177 0.3873
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0111 0.1714 0.1692
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0111 0.1714 0.3049
Brugia malayi Nuclear hormone receptor E75 0.0052 0.0685 0.0661
Loa Loa (eye worm) hypothetical protein 0.0076 0.1101 0.1101
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0111 0.172 0.1698
Onchocerca volvulus 0.0028 0.0256 0.025
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0111 0.1714 0.3008
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1882 0.319
Entamoeba histolytica hypothetical protein 0.008 0.1178 0.4587
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0554 0.0933
Echinococcus granulosus muscleblind protein 0.0157 0.2535 0.451
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0433 0.0031
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0111 0.1714 0.1692
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1882 0.319
Schistosoma mansoni hypothetical protein 0.0035 0.0384 0.0628
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0384 0.0384
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0255 0.4264 0.7587
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0141 0.2246 0.3961
Brugia malayi Nuclear hormone receptor-like 1 0.0111 0.1714 0.1692
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.1714 0.1692
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0111 0.1714 0.1714
Loa Loa (eye worm) nuclear receptor NHR-67 0.0052 0.0685 0.0685
Schistosoma mansoni nuclear receptor 0.0052 0.0685 0.1166
Echinococcus multilocularis thymidylate synthase 0.0332 0.562 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0111 0.1714 0.1692
Brugia malayi conserved hypotetical protein 0.0052 0.0685 0.0661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0111 0.172 0.172
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0433 0.077
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0111 0.1714 0.3049
Loa Loa (eye worm) hypothetical protein 0.0058 0.0795 0.0795
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0554 0.0986
Toxoplasma gondii exonuclease III APE 0.0038 0.0433 0.0031
Brugia malayi hypothetical protein 0.008 0.1178 0.1155
Brugia malayi nuclear receptor RXR 0.0052 0.0685 0.0661
Echinococcus multilocularis muscleblind protein 1 0.0157 0.2535 0.451
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.0685 0.0733
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.012 0.1882 0.3032
Loa Loa (eye worm) thymidylate synthase 0.0332 0.562 0.562
Brugia malayi Steroid receptor seven-up type 2 0.0111 0.1714 0.1692
Loa Loa (eye worm) hypothetical protein 0.0248 0.4141 0.4141
Schistosoma mansoni ap endonuclease 0.0038 0.0433 0.0715
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0255 0.4264 0.7587
Echinococcus granulosus FTZ F1 alpha 0.0111 0.1714 0.3049
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0435 0.0019
Echinococcus multilocularis musashi 0.0028 0.0251 0.0447
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0111 0.1714 0.3008
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0033 0.0059
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.0685 0.1218
Echinococcus multilocularis jun protein 0.0255 0.4264 0.7587
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Schistosoma mansoni nuclear receptor 0.0052 0.0685 0.1166
Schistosoma mansoni hypothetical protein 0.0035 0.0384 0.0628
Schistosoma mansoni nuclear receptor nhr-48 0.0052 0.0685 0.1166
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0384 0.0683
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0111 0.1714 0.3049
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.0685 0.1218
Schistosoma mansoni nuclear hormone receptor 0.0111 0.1714 0.3008
Loa Loa (eye worm) hypothetical protein 0.0028 0.0251 0.0251
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0348 0.0173
Schistosoma mansoni coup transcription factor 0.0111 0.1714 0.3008
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Brugia malayi ecdysone receptor 0.0052 0.0685 0.0661
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0111 0.1714 0.1692
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0417 0.0741
Schistosoma mansoni lamin 0.0028 0.0251 0.039
Echinococcus granulosus hormone sensitive lipase 0.0246 0.4096 0.7287
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0111 0.1714 0.3008
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0435 0.0552
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0246 0.4096 0.7271
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0111 0.1714 0.3049
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0256 0.023
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Brugia malayi hypothetical protein 0.0052 0.0685 0.0661
Echinococcus granulosus Nuclear hormone receptor HR96 0.0052 0.0685 0.1218
Schistosoma mansoni intermediate filament proteins 0.0028 0.0251 0.039
Onchocerca volvulus 0.0201 0.3298 0.3676
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0111 0.1714 0.1892
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0111 0.1714 0.1692
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Loa Loa (eye worm) hypothetical protein 0.0058 0.0795 0.0795
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.008 0.1178 0.2097
Echinococcus granulosus lamin dm0 0.0028 0.0251 0.0447
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0332 0.562 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Loa Loa (eye worm) inositol-1 0.0037 0.0417 0.0417
Echinococcus granulosus histone acetyltransferase KAT2B 0.0041 0.0495 0.0881
Schistosoma mansoni ap endonuclease 0.0038 0.0433 0.0715
Brugia malayi ecdysteroid receptor 0.0111 0.1714 0.1692
Loa Loa (eye worm) runx1 0.0065 0.0913 0.0913
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0417 0.0741
Brugia malayi hypothetical protein 0.0058 0.0795 0.0771
Onchocerca volvulus 0.0052 0.0685 0.0733
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.1714 0.3049
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0132
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0033 0.0008
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0433 0.077
Loa Loa (eye worm) hypothetical protein 0.0157 0.2535 0.2535
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0256 0.0226
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0058 0.0795 0.1414
Brugia malayi hypothetical protein 0.0058 0.0795 0.0771
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0111 0.1714 0.1714
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0033 0.0059
Brugia malayi Inositol-1 0.0037 0.0417 0.0392
Brugia malayi Uncoordinated protein 44 0.0015 0.0033 0.0008
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0256 0.0226
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0052 0.0685 0.0685
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0433 0.033
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0246 0.4096 0.7271
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1882 0.331
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.0685 0.1218
Echinococcus granulosus thymidylate synthase 0.0332 0.562 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0433 0.0433
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0384 0.0683
Schistosoma mansoni transcription factor LCR-F1 0.008 0.1178 0.2049
Mycobacterium ulcerans thymidylate synthase 0.0332 0.562 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0433 0.0076
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0111 0.1714 0.1714
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0111 0.1714 0.1692
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0256 0.0226
Loa Loa (eye worm) hypothetical protein 0.0035 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0058 0.0795 0.0795
Echinococcus multilocularis lamin dm0 0.0028 0.0251 0.0447
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0384 0.0359
Echinococcus granulosus GPCR family 2 0.0035 0.0384 0.0683
Echinococcus granulosus death domain containing protein 0.0015 0.0033 0.0059
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0132 0.5
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0332 0.562 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0111 0.1714 0.1714
Brugia malayi Muscleblind-like protein 0.0157 0.2535 0.2515
Loa Loa (eye worm) hypothetical protein 0.0111 0.172 0.172
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.1714 0.1692
Loa Loa (eye worm) DR-78 0.0052 0.0685 0.0685
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.012 0.1882 0.3349
Schistosoma mansoni thyroid hormone receptor 0.0234 0.3884 0.6893
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0433 0.0408
Loa Loa (eye worm) acetyltransferase 0.0141 0.2246 0.2246
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0384 0.0683
Brugia malayi nuclear receptor RXR 0.0058 0.0795 0.0771
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0433 0.0583
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0052 0.0685 0.1218
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0554 0.0554
Brugia malayi follicle stimulating hormone receptor 0.0242 0.4032 0.4017
Schistosoma mansoni hypothetical protein 0.0035 0.0384 0.0628
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0251 0.0251
Brugia malayi bZIP transcription factor family protein 0.0255 0.4264 0.4249
Echinococcus granulosus nuclear receptor nhr 48 0.0052 0.0685 0.1218
Loa Loa (eye worm) steroid hormone receptor 0.0111 0.1714 0.1714
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0041 0.0495 0.0662
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0028 0.0256 0.0256
Onchocerca volvulus 0.0052 0.0685 0.0733
Schistosoma mansoni hypothetical protein 0.0035 0.0384 0.0628
Schistosoma mansoni lozenge 0.0065 0.0913 0.1575
Echinococcus multilocularis Protein lozenge 0.0065 0.0913 0.1625
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0088 0.1316 0.4215
Brugia malayi hypothetical protein 0.0158 0.2551 0.2532
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0417 0.08
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1101 0.1078
Schistosoma mansoni lamin 0.0028 0.0251 0.039
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0052 0.0685 0.1166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0554 0.0986
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0417 0.0519
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0433 0.0881
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0111 0.1714 0.1692
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0554 0.0986
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.1714 0.3049
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Onchocerca volvulus 0.0028 0.0251 0.0245
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0088 0.1316 0.2342
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0111 0.1714 0.1692
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0433 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0435 0.089
Echinococcus granulosus nuclear factor of activated T cells 5 0.0078 0.1136 0.2021
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0088 0.1316 0.4215
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0251 0.0226
Brugia malayi nuclear hormone receptor 0.0052 0.0685 0.0661
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0052 0.0685 0.0661
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.0685 0.1218
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0348 0.043
Echinococcus granulosus lamin 0.0028 0.0251 0.0447
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0111 0.1714 0.3049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0384 0.0359
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0088 0.1316 0.4215
Brugia malayi photoreceptor-specific nuclear receptor 0.0111 0.1714 0.1692
Brugia malayi nuclear receptor NHR-88 0.0111 0.1714 0.1692
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0142 0.2267 0.2267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0554 0.0933
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Brugia malayi steroid hormone receptor 0.0111 0.1714 0.1692
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0251 0.0251
Schistosoma mansoni chromatin regulatory protein sir2 0.0088 0.1316 0.2296
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0417 0.03
Echinococcus multilocularis nuclear receptor nhr 48 0.0052 0.0685 0.1218
Loa Loa (eye worm) hypothetical protein 0.0157 0.2535 0.2535
Mycobacterium tuberculosis Hypothetical protein 0.0158 0.2551 0.4428
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0111 0.1714 0.1714
Loa Loa (eye worm) hypothetical protein 0.052 0.8914 0.8914
Schistosoma mansoni inositol monophosphatase 0.0037 0.0417 0.0686
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0058 0.0795 0.1363
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0142 0.2267 0.2247
Loa Loa (eye worm) hypothetical protein 0.0581 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0433 0.0031
Onchocerca volvulus Bile acid receptor homolog 0.0111 0.1714 0.1892
Brugia malayi NAD-dependent deacetylase SIRT1 0.0088 0.1316 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0111 0.1714 0.1714
Echinococcus granulosus jun protein 0.0255 0.4264 0.7587
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0433 0.0549
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Loa Loa (eye worm) hypothetical protein 0.0015 0.0036 0.0036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0554 0.053
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0052 0.0685 0.1218
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0384 0.0683
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0111 0.1714 0.3008
Trichomonas vaginalis conserved hypothetical protein 0.0158 0.2551 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0256 0.0256
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0256 0.0226
Echinococcus granulosus Ankyrin 0.0015 0.0036 0.0063
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0041 0.0495 0.0151
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.0795 0.0771
Schistosoma mansoni jun-related protein 0.0208 0.3421 0.6064
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Schistosoma mansoni zinc finger protein 0.0052 0.0685 0.1166
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0132 0.0036
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0142 0.2267 0.4034
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111 0.1714 0.3049
Echinococcus multilocularis FTZ F1 alpha 0.0111 0.1714 0.3049
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.2267 0.3557
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0111 0.1714 0.3049
Brugia malayi hypothetical protein 0.0052 0.0685 0.0661
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0041 0.0495 0.0151
Loa Loa (eye worm) hypothetical protein 0.0015 0.0033 0.0033
Brugia malayi Nuclear hormone receptor-like 1 0.0058 0.0795 0.0771
Echinococcus granulosus thyroid hormone receptor alpha 0.0052 0.0685 0.1218
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0142 0.2267 0.375
Schistosoma mansoni hypothetical protein 0.0208 0.3421 0.6064
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0256 0.0226
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0088 0.1316 0.4215
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0033 0.000000027759
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0041 0.0495 0.0369
Echinococcus granulosus intermediate filament protein 0.0028 0.0251 0.0447
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Brugia malayi nuclear hormone receptor 0.0111 0.1714 0.1692
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0033 0.0033
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0433 0.0549
Echinococcus multilocularis Ankyrin 0.0015 0.0036 0.0063
Schistosoma mansoni thyroid hormone receptor 0.0234 0.3884 0.6893
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0111 0.1714 0.3049
Onchocerca volvulus 0.052 0.8914 1
Schistosoma mansoni hypothetical protein 0.0076 0.1101 0.1912
Onchocerca volvulus 0.0028 0.0251 0.0245
Echinococcus multilocularis muscleblind protein 0.0157 0.2535 0.451
Schistosoma mansoni nuclear hormone receptor 0.0052 0.0685 0.1166
Echinococcus multilocularis transcription factor Dp 1 0.0082 0.1214 0.216
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0111 0.1714 0.1714
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0256 0.0226
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0332 0.562 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0142 0.2267 0.3557
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Brugia malayi hypothetical protein 0.052 0.8914 0.8912
Entamoeba histolytica hypothetical protein 0.008 0.1178 0.4587
Echinococcus multilocularis ecdysone induced protein 78C 0.0111 0.1714 0.3049
Loa Loa (eye worm) hypothetical protein 0.0058 0.0795 0.0795
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0052 0.0685 0.1166
Brugia malayi AMP-binding enzyme family protein 0.0028 0.0256 0.023
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0033 0.0059
Loa Loa (eye worm) hypothetical protein 0.0246 0.4096 0.4096
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111 0.1714 0.3049
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0141 0.2246 0.3997
Echinococcus granulosus ecdysone induced protein 78C 0.0111 0.1714 0.3049
Brugia malayi thymidylate synthase 0.0332 0.562 0.5609
Echinococcus multilocularis hormone sensitive lipase 0.0246 0.4096 0.7287
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0058 0.0795 0.0795
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0142 0.2267 0.3999
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0132
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0111 0.1714 0.1692
Loa Loa (eye worm) hypothetical protein 0.0111 0.1714 0.1714
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0088 0.1316 0.2342
Brugia malayi Protein kinase domain containing protein 0.0015 0.0033 0.0008
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0052 0.0685 0.1218
Brugia malayi hypothetical protein 0.0201 0.3298 0.3281
Schistosoma mansoni inositol monophosphatase 0.0037 0.0417 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0111 0.1714 0.1692
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0332 0.562 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0033 0.0059
Schistosoma mansoni hypothetical protein 0.0123 0.1936 0.3406
Brugia malayi nuclear hormone receptor family member nhr-6 0.0052 0.0685 0.0661
Brugia malayi nuclear receptor NHR-67 0.0052 0.0685 0.0661
Schistosoma mansoni nuclear hormone receptor 0.0052 0.0685 0.1166
Loa Loa (eye worm) hypothetical protein 0.0027 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0132
Brugia malayi Nuclear hormone receptor E75 0.0052 0.0685 0.0661
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0111 0.1714 0.3008
Brugia malayi Calcitonin receptor-like protein seb-1 0.0111 0.172 0.1698
Trichomonas vaginalis bromodomain-containing protein, putative 0.0041 0.0495 0.0369
Schistosoma mansoni hypothetical protein 0.008 0.1178 0.2049
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.012 0.1882 0.3349
Entamoeba histolytica hypothetical protein 0.008 0.1178 0.4587
Schistosoma mansoni steroid hormone receptor ad4bp 0.0111 0.1714 0.3008
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0111 0.1714 0.3049
Echinococcus granulosus transcription factor Dp 1 0.0082 0.1214 0.216
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0242 0.4032 0.4032
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0142 0.2267 0.4034
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0078 0.1136 0.2021
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0036 0.0004
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0052 0.0685 0.0733
Mycobacterium ulcerans aldehyde dehydrogenase 0.012 0.1882 0.319
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0111 0.1714 0.3049
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0256 0.0261
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.008 0.1178 0.2097
Brugia malayi intermediate filament protein 0.0028 0.0251 0.0226
Loa Loa (eye worm) hypothetical protein 0.0052 0.0685 0.0685
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0433 0.0031
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0038 0.0433 0.0549
Echinococcus multilocularis GPCR, family 2 0.0035 0.0384 0.0683
Echinococcus multilocularis lamin 0.0028 0.0251 0.0447
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1936 0.3445
Loa Loa (eye worm) hypothetical protein 0.052 0.8914 0.8914
Onchocerca volvulus 0.0111 0.1714 0.1892
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0052 0.0685 0.1218
Brugia malayi Death domain containing protein 0.0015 0.0033 0.0008
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1936 0.3445
Brugia malayi nuclear hormone receptor family member odr-7 0.0052 0.0685 0.0661
Loa Loa (eye worm) hypothetical protein 0.0088 0.1316 0.1316
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0158 0.2551 0.4102
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0058 0.0795 0.1414
Loa Loa (eye worm) hypothetical protein 0.0058 0.0795 0.0795
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0433 0.0076
Onchocerca volvulus Protein ultraspiracle homolog 0.0111 0.1714 0.1892
Entamoeba histolytica hypothetical protein 0.008 0.1178 0.4587
Schistosoma mansoni retinoic acid receptor RXR 0.0111 0.1714 0.3008
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0554 0.0986
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0256 0.0261
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0256 0.0226
Toxoplasma gondii aldehyde dehydrogenase 0.012 0.1882 0.2817
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0246 0.4096 0.7271
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0554 0.0933
Echinococcus multilocularis thyroid hormone receptor alpha 0.0234 0.3884 0.6911
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0142 0.2267 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0058 0.0795 0.1363
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.012 0.1882 0.3214
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0111 0.1714 0.3008
Schistosoma mansoni aldehyde dehydrogenase 0.012 0.1882 0.331
Brugia malayi nuclear receptor NHR-88 0.0052 0.0685 0.0661
Onchocerca volvulus 0.0332 0.562 0.6291
Loa Loa (eye worm) hypothetical protein 0.0028 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0021 0.0132 0.0132
Brugia malayi orphan nuclear receptor NR2E1 0.0052 0.0685 0.0661
Loa Loa (eye worm) nuclear hormone receptor 0.0052 0.0685 0.0685
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0433 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 4 mg/kg, sc QD for 5 days ChEMBL. 18207748
Activity (ADMET) Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 1.5 mg/kg, sc QD for 5 days ChEMBL. 18207748
Activity (ADMET) 0 Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 1.5 mg/kg, sc QD for 5 days ChEMBL. 18207748
Activity (ADMET) 0 Toxicity in mouse C26 cells implanted in C57BL/6 mouse assessed as survival at 4 mg/kg, sc QD for 5 days ChEMBL. 18207748
IC50 (functional) = 1.8861 Antitumor activity against human A549 cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 0.013 uM Antitumor activity against human A549 cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 0.013 uM Antitumor activity against human A549 cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 0.02 uM Antitumor activity against human LOVO cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 0.02 uM Antitumor activity against human LOVO cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 1.344 uM Antitumor activity against human MCF7 cells after 4 hrs by MTT assay ChEMBL. 18207748
IC50 (functional) = 1.344 uM Antitumor activity against human MCF7 cells after 4 hrs by MTT assay ChEMBL. 18207748
Inhibition (functional) = 21.29 % Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 1 mg/kg, sc QD for 5 days ChEMBL. 18207748
Inhibition (functional) = 28.98 % Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 2 mg/kg, sc QD for 5 days ChEMBL. 18207748
Inhibition (functional) = 30.99 % Antitumor activity against mouse C26 cells implanted in C57BL/6 mouse at 4 mg/kg, sc QD for 5 days ChEMBL. 18207748
Log IC50 (functional) = 1.8861 Antitumor activity against human A549 cells after 4 hrs by MTT assay ChEMBL. 18207748

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18207748

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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